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

Systemtic Name: 7-chloranyl-1-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-chloro-1-[(4-nitrophenyl)methyl]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-chloro-1-[(4-nitrophenyl)methyl]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-chloro-1-[(4-nitrophenyl)methyl]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-chloro-4-keto-1-(4-nitrobenzyl)-3H-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=CC(C(=O)C3=C2C=C(C=C3)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC(C(=O)C3=C2C=C(C=C3)Cl)C(=O)O)[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/h1-7,9,14H,8H2/p+1