Catalog Number:
AG000SED
Chemical Name:
Benzoic acid, 3-nitro-2-[[2-[(phenylmethyl)amino]propyl]amino]-
CAS Number:
126234-14-8
Molecular Formula:
C17H19N3O4
Molecular Weight:
329.3505
IUPAC Name:
2-[2-(benzylamino)propylamino]-3-nitrobenzoic acid
InChI:
InChI=1S/C17H19N3O4/c1-12(18-11-13-6-3-2-4-7-13)10-19-16-14(17(21)22)8-5-9-15(16)20(23)24/h2-9,12,18-19H,10-11H2,1H3,(H,21,22)
InChI Key:
CQLJJMXHHCTIAC-UHFFFAOYSA-N
SMILES:
CC(CNc1c(cccc1[N+](=O)[O-])C(=O)O)NCc1ccccc1