methyl 3-azanyl-5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-5-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-5-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-5-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C10H8N2O4S/c1-16-10(13)9-8(11)6-4-5(12(14)15)2-3-7(6)17-9/h2-4H,11H2,1H3