ethyl 1-tert-butyl-7-chloranyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-7-chloranyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-7-chloro-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-tert-butyl-7-chloro-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-7-chloro-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-tert-butyl-7-chloro-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C16H17ClN2O5 MolecularWeight: 352.76958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C(C)(C)C

InChI

InChI=1S/C16H17ClN2O5/c1-5-24-15(21)10-8-18(16(2,3)4)12-7-11(17)13(19(22)23)6-9(12)14(10)20/h6-8H,5H2,1-4H3