[4-[(2-nitrophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate

Systemtic Name: [4-[(2-nitrophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate Openeye Name: [4-[(2-nitrophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[[2-nitro-N-(1,2,4-triazol-4-yl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-nitrophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(2-nitrophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] ester Formula: C15H12N6O6S MolecularWeight: 404.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(C(=O)C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N(C(=O)C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O6S/c16-28(25,26)27-12-7-5-11(6-8-12)15(22)20(19-9-17-18-10-19)13-3-1-2-4-14(13)21(23)24/h1-10H,(H2,16,25,26)