4-methoxy-2-nitro-5-[5-(phenylcarbamoyl)-2H-1,2,3,4-tetrazol-2-ium-2-yl]benzenesulfonic acid

Systemtic Name: 4-methoxy-2-nitro-5-[5-(phenylcarbamoyl)-2H-1,2,3,4-tetrazol-2-ium-2-yl]benzenesulfonic acid Openeye Name: 4-methoxy-2-nitro-5-[5-(phenylcarbamoyl)-2H-tetrazol-2-ium-2-yl]benzenesulfonic acid CAS Name: 5-[5-[anilino(oxo)methyl]-2H-tetrazol-2-ium-2-yl]-4-methoxy-2-nitrobenzenesulfonic acid IUPAC Name: 4-methoxy-2-nitro-5-[5-(phenylcarbamoyl)-2H-tetrazol-2-ium-2-yl]benzenesulfonic acid Traditional Name: 4-methoxy-2-nitro-5-[5-(phenylcarbamoyl)-2H-tetrazol-2-ium-2-yl]besylic acid Formula: C15H13N6O7S+ MolecularWeight: 421.36472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])S(=O)(=O)O)[NH+]2N=C(N=N2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])S(=O)(=O)O)[NH+]2N=C(N=N2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C15H12N6O7S/c1-28-12-7-11(21(23)24)13(29(25,26)27)8-10(12)20-18-14(17-19-20)15(22)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,22)(H,25,26,27)/p+1