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

Systemtic Name: 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]quinazolin-4-one Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18ClN5O4/c21-14-5-6-17(18(11-14)26(29)30)23-7-9-24(10-8-23)19(27)12-25-13-22-16-4-2-1-3-15(16)20(25)28/h1-6,11,13H,7-10,12H2