ethyl 2-azanyl-6-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: ethyl 2-azanyl-6-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: ethyl 2-amino-4-(benzylamino)-6-nitro-benzoate CAS Name: 2-amino-6-nitro-4-[(phenylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(benzylamino)-6-nitrobenzoate Traditional Name: 2-amino-4-(benzylamino)-6-nitro-benzoic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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