ethyl 1-(4-azanylsulfanylperoxyphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate

Systemtic Name: ethyl 1-(4-azanylsulfanylperoxyphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate Openeye Name: ethyl 1-(4-aminosulfanylperoxyphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate CAS Name: 1-[4-(aminothio)dioxyphenyl]-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-aminosulfanylperoxyphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate Traditional Name: 1-[4-(aminothio)peroxyphenyl]-8-nitro-4,5-dihydrobenz[g]indazole-3-carboxylic acid ethyl ester Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OOSN

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OOSN

InChI

InChI=1S/C20H18N4O6S/c1-2-28-20(25)18-16-10-4-12-3-5-14(24(26)27)11-17(12)19(16)23(22-18)13-6-8-15(9-7-13)29-30-31-21/h3,5-9,11H,2,4,10,21H2,1H3