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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C12H16N4O4/c1-8-7-14(12(17)18)4-5-15(8)9-2-3-11(16(19)20)10(13)6-9/h2-3,6,8H,4-5,7,13H2,1H3,(H,17,18)