4-(4-methyl-3-nitro-phenyl)carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)carbonylpiperazine-1-carbaldehyde Openeye Name: 4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbaldehyde CAS Name: 4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-(4-methyl-3-nitrobenzoyl)piperazine-1-carbaldehyde Traditional Name: 4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbaldehyde Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-10-2-3-11(8-12(10)16(19)20)13(18)15-6-4-14(9-17)5-7-15/h2-3,8-9H,4-7H2,1H3