2-azanyl-4-ethyl-3-nitro-5-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 2-azanyl-4-ethyl-3-nitro-5-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-amino-5-(benzylamino)-4-ethyl-3-nitro-benzoic acid CAS Name: 2-amino-4-ethyl-3-nitro-5-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-amino-5-(benzylamino)-4-ethyl-3-nitrobenzoic acid Traditional Name: 2-amino-5-(benzylamino)-4-ethyl-3-nitro-benzoic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1[N+](=O)[O-])N)C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=C(C(=C1[N+](=O)[O-])N)C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4/c1-2-11-13(18-9-10-6-4-3-5-7-10)8-12(16(20)21)14(17)15(11)19(22)23/h3-8,18H,2,9,17H2,1H3,(H,20,21)