7-chloranyl-6-nitro-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-6-nitro-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-isopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-6-nitro-4-oxo-1-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-6-nitro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-isopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11ClN2O5/c1-6(2)15-5-8(13(18)19)12(17)7-3-11(16(20)21)9(14)4-10(7)15/h3-6H,1-2H3,(H,18,19)