methyl 2-[(4-cyanophenyl)amino]-2-(4,5-diethoxy-2-nitro-phenyl)ethanoate

Systemtic Name: methyl 2-[(4-cyanophenyl)amino]-2-(4,5-diethoxy-2-nitro-phenyl)ethanoate Openeye Name: methyl 2-(4-cyanoanilino)-2-(4,5-diethoxy-2-nitro-phenyl)acetate CAS Name: 2-(4-cyanoanilino)-2-(4,5-diethoxy-2-nitrophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-cyanoanilino)-2-(4,5-diethoxy-2-nitrophenyl)acetate Traditional Name: 2-(4-cyanoanilino)-2-(4,5-diethoxy-2-nitro-phenyl)acetic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)OC)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)OC)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H21N3O6/c1-4-28-17-10-15(16(23(25)26)11-18(17)29-5-2)19(20(24)27-3)22-14-8-6-13(12-21)7-9-14/h6-11,19,22H,4-5H2,1-3H3