N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-keto-6-nitro-quinazolin-3-yl)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5/c1-11-4-2-3-5-14(11)20-18(26)21-16(24)9-22-10-19-15-7-6-12(23(27)28)8-13(15)17(22)25/h6-8,10-11,14H,2-5,9H2,1H3,(H2,20,21,24,26)/t11-,14-/m0/s1