4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCOCCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)O)/C#N

InChI

InChI=1S/C16H18N2O4/c1-2-22-9-3-8-18-15(19)14(11-17)10-12-4-6-13(7-5-12)16(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)/b14-10+