4-[[4-bromanyl-2-(6-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-bromanyl-2-(6-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-bromo-2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-bromo-2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-bromo-2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-bromo-2-(3-keto-6-methyl-4H-quinoxalin-2-yl)anilino]-4-keto-butyric acid Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=C(C=CC(=C3)Br)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=C(C=CC(=C3)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H16BrN3O4/c1-10-2-4-14-15(8-10)23-19(27)18(22-14)12-9-11(20)3-5-13(12)21-16(24)6-7-17(25)26/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,23,27)(H,25,26)