methyl 4-[[(Z)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 4-[[(Z)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 4-[[(Z)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(Z)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]amino]benzoic acid methyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CNC1=CC=C(C=C1)C(=O)OC)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C\NC1=CC=C(C=C1)C(=O)OC)/C#N

InChI

InChI=1S/C16H19N3O3/c1-3-4-9-18-15(20)13(10-17)11-19-14-7-5-12(6-8-14)16(21)22-2/h5-8,11,19H,3-4,9H2,1-2H3,(H,18,20)/b13-11-