ethyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: ethyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: ethyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid ethyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-2-22-16(19)14-10-13(18(20)21)8-9-15(14)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3