3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N4O4/c1-11-5-12(2)8-19(7-11)16(22)9-20-10-18-15-4-3-13(21(24)25)6-14(15)17(20)23/h3-4,6,10-12H,5,7-9H2,1-2H3/t11-,12-/m1/s1