6-chloranyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 6-chloranyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3-carboxylic acid hydrochloride Openeye Name: 6-chloro-4-(2-hydroxy-5-nitro-anilino)quinoline-3-carboxylic acid hydrochloride CAS Name: 6-chloro-4-(2-hydroxy-5-nitroanilino)-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 6-chloro-4-(2-hydroxy-5-nitroanilino)quinoline-3-carboxylic acid hydrochloride Traditional Name: 6-chloro-4-(2-hydroxy-5-nitro-anilino)quinoline-3-carboxylic acid hydrochloride Formula: C16H11Cl2N3O5 MolecularWeight: 396.18164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC2=C3C=C(C=CC3=NC=C2C(=O)O)Cl)O.Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC2=C3C=C(C=CC3=NC=C2C(=O)O)Cl)O.Cl

InChI

InChI=1S/C16H10ClN3O5.ClH/c17-8-1-3-12-10(5-8)15(11(7-18-12)16(22)23)19-13-6-9(20(24)25)2-4-14(13)21;/h1-7,21H,(H,18,19)(H,22,23);1H