N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4/c1-16(8-17,10-2-3-10)19-14(22)7-20-9-18-13-5-4-11(21(24)25)6-12(13)15(20)23/h4-6,9-10H,2-3,7H2,1H3,(H,19,22)/t16-/m0/s1