4-[(4-methyl-3-nitro-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 4-[(4-methyl-3-nitro-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-methyl-3-nitrophenyl)methyl]-1-piperazinecarboxylate IUPAC Name: 4-[(4-methyl-3-nitrophenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(4-methyl-3-nitro-benzyl)piperazine-1-carboxylate Formula: C13H16N3O4- MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-10-2-3-11(8-12(10)16(19)20)9-14-4-6-15(7-5-14)13(17)18/h2-3,8H,4-7,9H2,1H3,(H,17,18)/p-1