3-nitro-2-[2-[(phenylmethyl)amino]propylamino]benzoic acid

Systemtic Name: 3-nitro-2-[2-[(phenylmethyl)amino]propylamino]benzoic acid Openeye Name: 2-[2-(benzylamino)propylamino]-3-nitro-benzoic acid CAS Name: 3-nitro-2-[2-[(phenylmethyl)amino]propylamino]benzoic acid IUPAC Name: 2-[2-(benzylamino)propylamino]-3-nitrobenzoic acid Traditional Name: 2-[2-(benzylamino)propylamino]-3-nitro-benzoic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=CC=C1[N+](=O)[O-])C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(CNC1=C(C=CC=C1[N+](=O)[O-])C(=O)O)NCC2=CC=CC=C2

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)