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

Systemtic Name: 6-chloranyl-3-oxidanylidene-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-3-oxo-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-[[[anilino(oxo)methyl]amino]methyl]-1-pyrrolyl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-3-oxo-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-3-keto-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Formula: C21H16ClN5O4 MolecularWeight: 437.83584

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C21H16ClN5O4/c22-14-8-15-16(25-18(20(29)30)19(28)26-15)9-17(14)27-7-6-12(11-27)10-23-21(31)24-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,26,28)(H,29,30)(H2,23,24,31)