ethyl 7,8-dimethyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(2-hydroxy-5-nitro-anilino)-7,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)-7,8-dimethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxy-5-nitroanilino)-7,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)-7,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H20N3O5+ MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NC3=C(C=CC(=C3)[N+](=O)[O-])O)C)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NC3=C(C=CC(=C3)[N+](=O)[O-])O)C)C

InChI

InChI=1S/C20H19N3O5/c1-4-28-20(25)15-10-21-18-12(3)11(2)5-7-14(18)19(15)22-16-9-13(23(26)27)6-8-17(16)24/h5-10,24H,4H2,1-3H3,(H,21,22)/p+1