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2-acetamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate

2-acetamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate

Systemtic Name:2-acetamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate
Openeye Name:2-acetamido-3-ethoxycarbonyl-4,6-dinitro-benzothiophen-7-olate
CAS Name:2-acetamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate
IUPAC Name:2-acetamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate
Traditional Name:2-acetamido-3-carbethoxy-4,6-dinitro-benzothiophen-7-olate
Formula: C13H10N3O8S-
MolecularWeight: 368.2988
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(=CC(=C2[O-])[N+](=O)[O-])[N+](=O)[O-])NC(=O)C


Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=CC(=C2[O-])[N+](=O)[O-])[N+](=O)[O-])NC(=O)C


InChI

InChI=1S/C13H11N3O8S/c1-3-24-13(19)9-8-6(15(20)21)4-7(16(22)23)10(18)11(8)25-12(9)14-5(2)17/h4,18H,3H2,1-2H3,(H,14,17)/p-1


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