2-[(4-methyl-3-nitro-phenyl)sulfonyl-nitro-amino]ethanoic acid

Systemtic Name: 2-[(4-methyl-3-nitro-phenyl)sulfonyl-nitro-amino]ethanoic acid Openeye Name: 2-[(4-methyl-3-nitro-phenyl)sulfonyl-nitro-amino]acetic acid CAS Name: 2-[(4-methyl-3-nitrophenyl)sulfonyl-nitroamino]acetic acid IUPAC Name: 2-[(4-methyl-3-nitrophenyl)sulfonyl-nitroamino]acetic acid Traditional Name: 2-[(4-methyl-3-nitro-phenyl)sulfonyl-nitro-amino]acetic acid Formula: C9H9N3O8S MolecularWeight: 319.24806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O8S/c1-6-2-3-7(4-8(6)11(15)16)21(19,20)10(12(17)18)5-9(13)14/h2-4H,5H2,1H3,(H,13,14)