(5-nitro-3-oxidanyl-1-benzothiophen-2-yl) N-ethoxycarbonylcarbamate

Systemtic Name: (5-nitro-3-oxidanyl-1-benzothiophen-2-yl) N-ethoxycarbonylcarbamate Openeye Name: (3-hydroxy-5-nitro-benzothiophen-2-yl) N-ethoxycarbonylcarbamate CAS Name: N-ethoxycarbonylcarbamic acid (3-hydroxy-5-nitro-1-benzothiophen-2-yl) ester IUPAC Name: (3-hydroxy-5-nitro-1-benzothiophen-2-yl) N-ethoxycarbonylcarbamate Traditional Name: N-carbethoxycarbamic acid (3-hydroxy-5-nitro-benzothiophen-2-yl) ester Formula: C12H10N2O7S MolecularWeight: 326.282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)OC1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)NC(=O)OC1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H10N2O7S/c1-2-20-11(16)13-12(17)21-10-9(15)7-5-6(14(18)19)3-4-8(7)22-10/h3-5,15H,2H2,1H3,(H,13,16,17)