ethyl 6-chloranyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-(2-hydroxy-5-nitro-anilino)quinoline-3-carboxylate CAS Name: 6-chloro-4-(2-hydroxy-5-nitroanilino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(2-hydroxy-5-nitroanilino)quinoline-3-carboxylate Traditional Name: 6-chloro-4-(2-hydroxy-5-nitro-anilino)quinoline-3-carboxylic acid ethyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5/c1-2-27-18(24)13-9-20-14-5-3-10(19)7-12(14)17(13)21-15-8-11(22(25)26)4-6-16(15)23/h3-9,23H,2H2,1H3,(H,20,21)