1-(2-tert-butyl-5-methoxy-8-nitro-quinolin-6-yl)ethanone

Systemtic Name: 1-(2-tert-butyl-5-methoxy-8-nitro-quinolin-6-yl)ethanone Openeye Name: 1-(2-tert-butyl-5-methoxy-8-nitro-6-quinolyl)ethanone CAS Name: 1-(2-tert-butyl-5-methoxy-8-nitro-6-quinolinyl)ethanone IUPAC Name: 1-(2-tert-butyl-5-methoxy-8-nitroquinolin-6-yl)ethanone Traditional Name: 1-(2-tert-butyl-5-methoxy-8-nitro-6-quinolyl)ethanone Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C2C(=C1OC)C=CC(=N2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C2C(=C1OC)C=CC(=N2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-9(19)11-8-12(18(20)21)14-10(15(11)22-5)6-7-13(17-14)16(2,3)4/h6-8H,1-5H3