methyl 3-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]diazenyl]-5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]diazenyl]-5-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)azo]-5-nitro-benzothiophene-2-carboxylate CAS Name: 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)azo]-5-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)diazenyl]-5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-yl)azo]-5-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H13N3O8S MolecularWeight: 407.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)N=NC2=C(SC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)N=NC2=C(SC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C16H13N3O8S/c1-16(2)26-13(20)11(14(21)27-16)18-17-10-8-6-7(19(23)24)4-5-9(8)28-12(10)15(22)25-3/h4-6,11H,1-3H3