ethyl 6-chloranyl-7-[3-[[(4-ethoxycarbonyl-2-fluoranyl-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-7-[3-[[(4-ethoxycarbonyl-2-fluoranyl-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylate Openeye Name: ethyl 6-chloro-7-[3-[[(4-ethoxycarbonyl-2-fluoro-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylate CAS Name: 6-chloro-7-[3-[[[(4-ethoxycarbonyl-2-fluoroanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-7-[3-[[(4-ethoxycarbonyl-2-fluorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylate Traditional Name: 7-[3-[[(4-carbethoxy-2-fluoro-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid ethyl ester Formula: C26H23ClFN5O6 MolecularWeight: 555.942123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)OCC)Cl)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)OCC)Cl)F

InChI

InChI=1S/C26H23ClFN5O6/c1-3-38-24(35)15-5-6-18(17(28)9-15)32-26(37)29-12-14-7-8-33(13-14)21-11-20-19(10-16(21)27)31-23(34)22(30-20)25(36)39-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,31,34)(H2,29,32,37)