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

Systemtic Name: 2-benzamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate Openeye Name: 2-benzamido-3-ethoxycarbonyl-4,6-dinitro-benzothiophen-7-olate CAS Name: 2-benzamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate IUPAC Name: 2-benzamido-3-ethoxycarbonyl-4,6-dinitro-1-benzothiophen-7-olate Traditional Name: 2-benzamido-3-carbethoxy-4,6-dinitro-benzothiophen-7-olate Formula: C18H12N3O8S- MolecularWeight: 430.36818

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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)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=CC(=C2[O-])[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O8S/c1-2-29-18(24)13-12-10(20(25)26)8-11(21(27)28)14(22)15(12)30-17(13)19-16(23)9-6-4-3-5-7-9/h3-8,22H,2H2,1H3,(H,19,23)/p-1