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

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-6-nitro-quinazolin-4-one Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-31-17-5-2-15(3-6-17)23-8-10-24(11-9-23)20(27)13-25-14-22-19-7-4-16(26(29)30)12-18(19)21(25)28/h2-7,12,14H,8-11,13H2,1H3