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

Systemtic Name: 6-chloranyl-7-[3-[[(4-chlorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-7-[3-[[(4-chlorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-7-[3-[[[(4-chloroanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-7-[3-[[(4-chlorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-7-[3-[[(4-chlorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C21H15Cl2N5O4 MolecularWeight: 472.2809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl)Cl

InChI

InChI=1S/C21H15Cl2N5O4/c22-12-1-3-13(4-2-12)25-21(32)24-9-11-5-6-28(10-11)17-8-16-15(7-14(17)23)27-19(29)18(26-16)20(30)31/h1-8,10H,9H2,(H,27,29)(H,30,31)(H2,24,25,32)