ethyl 6-chloranyl-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-2-carboxylate Openeye Name: ethyl 6-chloro-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate CAS Name: 6-chloro-7-[3-[[[(4-ethoxycarbonylanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate Traditional Name: 7-[3-[[(4-carbethoxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-keto-2,4-dihydro-1H-quinoxaline-2-carboxylic acid ethyl ester Formula: C26H26ClN5O6 MolecularWeight: 539.96754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(N1)C=C(C(=C2)Cl)N3C=CC(=C3)CNC(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1C(=O)NC2=C(N1)C=C(C(=C2)Cl)N3C=CC(=C3)CNC(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C26H26ClN5O6/c1-3-37-24(34)16-5-7-17(8-6-16)29-26(36)28-13-15-9-10-32(14-15)21-12-20-19(11-18(21)27)31-23(33)22(30-20)25(35)38-4-2/h5-12,14,22,30H,3-4,13H2,1-2H3,(H,31,33)(H2,28,29,36)