4-(3-azanyl-5-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-azanyl-5-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-amino-5-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-amino-5-methyl-4-nitrophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-amino-5-methyl-4-nitrophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-amino-5-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4/c1-8-6-9(7-10(13)11(8)16(19)20)14-2-4-15(5-3-14)12(17)18/h6-7H,2-5,13H2,1H3,(H,17,18)