[4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]phenyl] ester IUPAC Name: [4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl] ester Formula: C15H11N5O6S MolecularWeight: 389.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O6S/c21-14(18-15-16-9-17-19-15)10-4-6-12(7-5-10)26-27(24,25)13-3-1-2-11(8-13)20(22)23/h1-9H,(H2,16,17,18,19,21)