methyl 2-[(4-cyanophenyl)amino]-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethanoate

Systemtic Name: methyl 2-[(4-cyanophenyl)amino]-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethanoate Openeye Name: methyl 2-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-cyanoanilino)-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)acetate Traditional Name: 2-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-(4-cyanoanilino)acetic acid methyl ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)OC)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)OC)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H21N3O6/c1-31-21-12-19(23(24(28)32-2)26-18-10-8-16(14-25)9-11-18)20(27(29)30)13-22(21)33-15-17-6-4-3-5-7-17/h3-13,23,26H,15H2,1-2H3