methyl 2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]amino]benzoic acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC=C(C#N)C(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1N/C=C(/C#N)\C(=O)NC2CCCCC2

InChI

InChI=1S/C18H21N3O3/c1-24-18(23)15-9-5-6-10-16(15)20-12-13(11-19)17(22)21-14-7-3-2-4-8-14/h5-6,9-10,12,14,20H,2-4,7-8H2,1H3,(H,21,22)/b13-12-