ethyl 7-chloranyl-8-methyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-4-(2-hydroxy-5-nitro-anilino)-8-methyl-quinoline-3-carboxylate CAS Name: 7-chloro-4-(2-hydroxy-5-nitroanilino)-8-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-(2-hydroxy-5-nitroanilino)-8-methylquinoline-3-carboxylate Traditional Name: 7-chloro-4-(2-hydroxy-5-nitro-anilino)-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5/c1-3-28-19(25)13-9-21-17-10(2)14(20)6-5-12(17)18(13)22-15-8-11(23(26)27)4-7-16(15)24/h4-9,24H,3H2,1-2H3,(H,21,22)