N-(3-chloranyl-2-methyl-phenyl)-4-(7-methoxy-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-2,4-bis(oxidanylidene)butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(7-methoxy-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-2,4-bis(oxidanylidene)butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)-2,4-dioxo-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-2,4-dioxobutanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2,4-diketo-4-(1-keto-7-methoxy-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)butyramide Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C

InChI

InChI=1S/C21H18ClN3O6/c1-11-14(22)5-4-6-15(11)23-21(28)19(27)10-18(26)20-12(2)24(29)16-8-7-13(31-3)9-17(16)25(20)30/h4-9H,10H2,1-3H3,(H,23,28)