methyl 4-chloranyl-2-[[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 4-chloro-2-[[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-chloro-2-[[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-chloro-2-[[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]amino]benzoic acid methyl ester Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC=C(C#N)C(=O)NCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)N/C=C(\C#N)/C(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H14ClN3O4/c1-24-17(23)14-5-4-12(18)7-15(14)20-9-11(8-19)16(22)21-10-13-3-2-6-25-13/h2-7,9,20H,10H2,1H3,(H,21,22)/b11-9+