ethyl 4-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(1-methyl-2-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CN2C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CN2C)/C#N

InChI

InChI=1S/C18H17N3O3/c1-3-24-18(23)13-6-8-15(9-7-13)20-17(22)14(12-19)11-16-5-4-10-21(16)2/h4-11H,3H2,1-2H3,(H,20,22)/b14-11+