(2E)-1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylidene]butane-1,3-dione

Systemtic Name: (2E)-1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylidene]butane-1,3-dione Openeye Name: (2E)-1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylene]butane-1,3-dione CAS Name: (2E)-1-(4-methyl-1-piperazinyl)-2-[(3-nitrophenyl)methylidene]butane-1,3-dione IUPAC Name: (2E)-1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylidene]butane-1,3-dione Traditional Name: (2E)-1-(4-methylpiperazino)-2-(3-nitrobenzylidene)butane-1,3-dione Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)N2CCN(CC2)C

InChI

InChI=1S/C16H19N3O4/c1-12(20)15(16(21)18-8-6-17(2)7-9-18)11-13-4-3-5-14(10-13)19(22)23/h3-5,10-11H,6-9H2,1-2H3/b15-11+