methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(cyclopentylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2CCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCC2

InChI

InChI=1S/C17H18N2O3/c1-22-17(21)13-8-6-12(7-9-13)10-14(11-18)16(20)19-15-4-2-3-5-15/h6-10,15H,2-5H2,1H3,(H,19,20)/b14-10+