N-(2,3-dimethylcyclohexyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-11-4-3-5-15(12(11)2)20-17(23)9-21-10-19-16-8-13(22(25)26)6-7-14(16)18(21)24/h6-8,10-12,15H,3-5,9H2,1-2H3,(H,20,23)