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

Systemtic Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C15H15N2O3- MolecularWeight: 271.2912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)C(=O)[O-])C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)[O-])/C#N

InChI

InChI=1S/C15H16N2O3/c1-2-3-8-17-14(18)13(10-16)9-11-4-6-12(7-5-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,17,18)(H,19,20)/p-1/b13-9+