ethyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: ethyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: ethyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid ethyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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