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

Systemtic Name: 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-2-12-5-3-4-8-20(12)16(22)10-19-11-18-15-7-6-13(21(24)25)9-14(15)17(19)23/h6-7,9,11-12H,2-5,8,10H2,1H3/t12-/m0/s1