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

Systemtic Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]benzoate Formula: C17H17N2O3- MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C17H18N2O3/c18-11-14(16(20)19-15-4-2-1-3-5-15)10-12-6-8-13(9-7-12)17(21)22/h6-10,15H,1-5H2,(H,19,20)(H,21,22)/p-1/b14-10+