(2E)-2-methylsulfonylimino-6-(3-nitrophenyl)pyrimidine-1,5-dicarboxylic acid

Systemtic Name: (2E)-2-methylsulfonylimino-6-(3-nitrophenyl)pyrimidine-1,5-dicarboxylic acid Openeye Name: (2E)-2-methylsulfonylimino-6-(3-nitrophenyl)pyrimidine-1,5-dicarboxylic acid CAS Name: (2E)-2-methylsulfonylimino-6-(3-nitrophenyl)pyrimidine-1,5-dicarboxylic acid IUPAC Name: (2E)-2-methylsulfonylimino-6-(3-nitrophenyl)pyrimidine-1,5-dicarboxylic acid Traditional Name: (2E)-2-mesylimino-6-(3-nitrophenyl)pyrimidine-1,5-dicarboxylic acid Formula: C13H10N4O8S MolecularWeight: 382.3055

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C1N=CC(=C(N1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)/N=C/1\N=CC(=C(N1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N4O8S/c1-26(24,25)15-12-14-6-9(11(18)19)10(16(12)13(20)21)7-3-2-4-8(5-7)17(22)23/h2-6H,1H3,(H,18,19)(H,20,21)/b15-12+