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

Systemtic Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(3-methoxypropylamino)prop-1-enyl]benzoic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-21-8-2-7-17-14(18)13(10-16)9-11-3-5-12(6-4-11)15(19)20/h3-6,9H,2,7-8H2,1H3,(H,17,18)(H,19,20)/b13-9+