1-tert-butyl-7-chloranyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-chloranyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-chloro-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-chloro-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-chloro-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-chloro-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O5/c1-14(2,3)16-6-8(13(19)20)12(18)7-4-11(17(21)22)9(15)5-10(7)16/h4-6H,1-3H3,(H,19,20)