ethyl 3-nitro-4-phenyl-5-[(phenylmethyl)amino]benzoate

Systemtic Name: ethyl 3-nitro-4-phenyl-5-[(phenylmethyl)amino]benzoate Openeye Name: ethyl 3-(benzylamino)-5-nitro-4-phenyl-benzoate CAS Name: 3-nitro-4-phenyl-5-[(phenylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-5-nitro-4-phenylbenzoate Traditional Name: 3-(benzylamino)-5-nitro-4-phenyl-benzoic acid ethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c1-2-28-22(25)18-13-19(23-15-16-9-5-3-6-10-16)21(20(14-18)24(26)27)17-11-7-4-8-12-17/h3-14,23H,2,15H2,1H3