ethyl 4-[[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C#N

InChI

InChI=1S/C21H19N3O7/c1-4-31-21(26)13-5-7-16(8-6-13)23-20(25)15(12-22)9-14-10-18(29-2)19(30-3)11-17(14)24(27)28/h5-11H,4H2,1-3H3,(H,23,25)/b15-9+