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

Systemtic Name: 6-chloranyl-3-oxidanylidene-7-[3-[(propan-2-ylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-7-[3-[(isopropylcarbamoylamino)methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-3-oxo-7-[3-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-1-pyrrolyl]-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-3-oxo-7-[3-[(propan-2-ylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-7-[3-[(isopropylcarbamoylamino)methyl]pyrrol-1-yl]-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C18H18ClN5O4 MolecularWeight: 403.81962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CN(C=C1)C2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)Cl

Isomeric SMILES

CC(C)NC(=O)NCC1=CN(C=C1)C2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)Cl

InChI

InChI=1S/C18H18ClN5O4/c1-9(2)21-18(28)20-7-10-3-4-24(8-10)14-6-13-12(5-11(14)19)23-16(25)15(22-13)17(26)27/h3-6,8-9H,7H2,1-2H3,(H,23,25)(H,26,27)(H2,20,21,28)