6-chloranyl-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 6-chloranyl-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-7-[3-[[[(4-ethoxycarbonylanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[3-[[(4-carbethoxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C24H20ClN5O6 MolecularWeight: 509.8985

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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)O)Cl

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)O)Cl

InChI

InChI=1S/C24H20ClN5O6/c1-2-36-23(34)14-3-5-15(6-4-14)27-24(35)26-11-13-7-8-30(12-13)19-10-18-17(9-16(19)25)29-21(31)20(28-18)22(32)33/h3-10,12H,2,11H2,1H3,(H,29,31)(H,32,33)(H2,26,27,35)