[2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC)C

InChI

InChI=1S/C17H23N3O3/c1-5-6-7-20-12(2)8-14(13(20)3)9-15(10-18)17(22)23-11-16(21)19-4/h8-9H,5-7,11H2,1-4H3,(H,19,21)/b15-9+