4-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-furyl]-3-methyl-benzoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC

InChI

InChI=1S/C17H14N2O4/c1-10-7-11(17(21)22)3-5-14(10)15-6-4-13(23-15)8-12(9-18)16(20)19-2/h3-8H,1-2H3,(H,19,20)(H,21,22)/b12-8+