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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]benzoate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-9(2)16-13(17)12(8-15)7-10-3-5-11(6-4-10)14(18)19/h3-7,9H,1-2H3,(H,16,17)(H,18,19)/p-1/b12-7+