3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]-6-nitro-quinazolin-4-one Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-11-4-2-3-7-19(11)15(21)9-18-10-17-14-6-5-12(20(23)24)8-13(14)16(18)22/h5-6,8,10-11H,2-4,7,9H2,1H3/t11-/m0/s1