7-chloranyl-1-[(4-nitrophenyl)methyl]-4-oxidanyl-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-[(4-nitrophenyl)methyl]-4-oxidanyl-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-chloro-4-hydroxy-1-[(4-nitrophenyl)methyl]quinolin-1-ium-3-carboxylic acid CAS Name: 7-chloro-4-hydroxy-1-[(4-nitrophenyl)methyl]-3-quinolin-1-iumcarboxylic acid IUPAC Name: 7-chloro-4-hydroxy-1-[(4-nitrophenyl)methyl]quinolin-1-ium-3-carboxylic acid Traditional Name: 7-chloro-4-hydroxy-1-(4-nitrobenzyl)quinolin-1-ium-3-carboxylic acid Formula: C17H12ClN2O5+ MolecularWeight: 359.74058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=C3C=C(C=CC3=C(C(=C2)C(=O)O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=C3C=C(C=CC3=C(C(=C2)C(=O)O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN2O5/c18-11-3-6-13-15(7-11)19(9-14(16(13)21)17(22)23)8-10-1-4-12(5-2-10)20(24)25/h1-7,9H,8H2,(H,22,23)/p+1