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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O6S/c22-15(18-28(25,26)27-12-6-2-1-3-7-12)20(19-10-16-17-11-19)13-8-4-5-9-14(13)21(23)24/h1-11H,(H,18,22)