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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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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)C(C)C)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-4-30-22(27)16-6-8-18(9-7-16)24-21(26)17(13-23)11-15-5-10-19(14(2)3)20(12-15)25(28)29/h5-12,14H,4H2,1-3H3,(H,24,26)/b17-11+