methyl 2-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]sulfanylacetate CAS Name: 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-4-indazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenylindazol-4-yl]sulfanylacetate Traditional Name: 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]thio]acetic acid methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O6S/c1-26-16(23)11-29-15-10-13(22(24)25)9-14-17(15)18(19-27-7-8-28-19)20-21(14)12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3