[4-[(1-methylpyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(1-methylpyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(1-methylpyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(1-methyl-4-pyrazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(1-methylpyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(1-methylpyrazol-4-yl)carbamoyl]phenyl] ester Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-20-11-13(10-18-20)19-17(22)12-5-7-15(8-6-12)27-28(25,26)16-4-2-3-14(9-16)21(23)24/h2-11H,1H3,(H,19,22)