ethyl 3-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 3-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(=CC2=C(N(C(=C2)C#N)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C#N)C)C)/C#N

InChI

InChI=1S/C20H18N4O3/c1-4-27-20(26)14-6-5-7-17(9-14)23-19(25)16(11-21)8-15-10-18(12-22)24(3)13(15)2/h5-10H,4H2,1-3H3,(H,23,25)/b16-8+