ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitro-benzoate

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitro-benzoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitro-benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-3-nitro-benzoic acid ethyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H19N3O4/c1-2-30-23(27)20-8-5-9-21(26(28)29)22(20)25-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-24/h3-13,25H,2,15H2,1H3