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

Systemtic Name: ethyl 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-nitro-benzoate CAS Name: 3-[[3-[4-(2-cyanophenyl)phenyl]-1-oxopropyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-nitrobenzoate Traditional Name: 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H21N3O5/c1-2-33-25(30)19-12-13-23(28(31)32)22(15-19)27-24(29)14-9-17-7-10-18(11-8-17)21-6-4-3-5-20(21)16-26/h3-8,10-13,15H,2,9,14H2,1H3,(H,27,29)