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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-11-3-2-6-18(8-11)15(21)9-19-10-17-14-5-4-12(20(23)24)7-13(14)16(19)22/h4-5,7,10-11H,2-3,6,8-9H2,1H3/t11-/m0/s1