3-[[1-(7-chloranyl-3-ethoxycarbonyl-2-oxidanylidene-1H-quinoxalin-6-yl)pyrrol-3-yl]methylcarbamoylamino]benzoic acid

Systemtic Name: 3-[[1-(7-chloranyl-3-ethoxycarbonyl-2-oxidanylidene-1H-quinoxalin-6-yl)pyrrol-3-yl]methylcarbamoylamino]benzoic acid Openeye Name: 3-[[1-(7-chloro-3-ethoxycarbonyl-2-oxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methylcarbamoylamino]benzoic acid CAS Name: 3-[[[[1-(7-chloro-3-ethoxycarbonyl-2-oxo-1H-quinoxalin-6-yl)-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(7-chloro-3-ethoxycarbonyl-2-oxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methylcarbamoylamino]benzoic acid Traditional Name: 3-[[1-(3-carbethoxy-7-chloro-2-keto-1H-quinoxalin-6-yl)pyrrol-3-yl]methylcarbamoylamino]benzoic acid Formula: C24H20ClN5O6 MolecularWeight: 509.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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