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

Systemtic Name: ethyl 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylate Openeye Name: ethyl 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylate CAS Name: 7-[3-[[[(4-bromoanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylate Traditional Name: 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid ethyl ester Formula: C23H19BrClN5O4 MolecularWeight: 544.78506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)N3C=CC(=C3)CNC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)N3C=CC(=C3)CNC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrClN5O4/c1-2-34-22(32)20-21(31)29-17-9-16(25)19(10-18(17)28-20)30-8-7-13(12-30)11-26-23(33)27-15-5-3-14(24)4-6-15/h3-10,12H,2,11H2,1H3,(H,29,31)(H2,26,27,33)