methyl 5-[5-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[5-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: methyl 5-[5-[(Z)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[5-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(Z)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid methyl ester Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=O)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C(/C#N)\C(=O)N)Cl

InChI

InChI=1S/C16H11ClN2O4/c1-22-16(21)12-7-9(2-4-13(12)17)14-5-3-11(23-14)6-10(8-18)15(19)20/h2-7H,1H3,(H2,19,20)/b10-6-