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

Systemtic Name: 4-[(E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(4-butylanilino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-butylanilino)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C21H19N2O3- MolecularWeight: 347.38716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C21H20N2O3/c1-2-3-4-15-7-11-19(12-8-15)23-20(24)18(14-22)13-16-5-9-17(10-6-16)21(25)26/h5-13H,2-4H2,1H3,(H,23,24)(H,25,26)/p-1/b18-13+