(3E)-6-methyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethylidene]piperazin-2-one

Systemtic Name: (3E)-6-methyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethylidene]piperazin-2-one Openeye Name: (3E)-6-methyl-3-[2-(3-nitrophenyl)-2-oxo-ethylidene]piperazin-2-one CAS Name: (3E)-6-methyl-3-[2-(3-nitrophenyl)-2-oxoethylidene]-2-piperazinone IUPAC Name: (3E)-6-methyl-3-[2-(3-nitrophenyl)-2-oxoethylidene]piperazin-2-one Traditional Name: (3E)-3-[2-keto-2-(3-nitrophenyl)ethylidene]-6-methyl-piperazin-2-one Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CC1CN/C(=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N1

InChI

InChI=1S/C13H13N3O4/c1-8-7-14-11(13(18)15-8)6-12(17)9-3-2-4-10(5-9)16(19)20/h2-6,8,14H,7H2,1H3,(H,15,18)/b11-6+