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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-3-15-6-5-14(12-19(15)24(27)28)11-17(13-22)20(25)23-18-9-7-16(8-10-18)21(26)29-4-2/h5-12H,3-4H2,1-2H3,(H,23,25)/b17-11+