3-[N-[2,6-bis(chloranyl)-4-nitro-phenyl]-C-methyl-carbonimidoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[N-[2,6-bis(chloranyl)-4-nitro-phenyl]-C-methyl-carbonimidoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[N-(2,6-dichloro-4-nitro-phenyl)-C-methyl-carbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[1-(2,6-dichloro-4-nitrophenyl)iminoethyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[N-(2,6-dichloro-4-nitrophenyl)-C-methylcarbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[N-(2,6-dichloro-4-nitro-phenyl)-C-methyl-carbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C18H14Cl2N3O4+ MolecularWeight: 407.22746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

CC(=NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C18H13Cl2N3O4/c1-9(21-16-12(19)7-10(23(26)27)8-13(16)20)15-17(24)11-5-3-4-6-14(11)22(2)18(15)25/h3-8,15H,1-2H3/p+1