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

Systemtic Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoate Openeye Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-furyl]-3-methyl-benzoate CAS Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-furanyl]-3-methylbenzoate IUPAC Name: 4-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-furyl]-3-methyl-benzoate Formula: C17H13N2O4- MolecularWeight: 309.29612

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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)/p-1/b12-8+