2-(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbonyl-6-nitro-benzoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbonyl-6-nitro-benzoic acid Openeye Name: 2-(3-ethoxycarbonyl-4-phenyl-thiophene-2-carbonyl)-6-nitro-benzoic acid CAS Name: 2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-(3-ethoxycarbonyl-4-phenylthiophene-2-carbonyl)-6-nitrobenzoic acid Traditional Name: 2-(3-carbethoxy-4-phenyl-thiophene-2-carbonyl)-6-nitro-benzoic acid Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H15NO7S/c1-2-29-21(26)17-14(12-7-4-3-5-8-12)11-30-19(17)18(23)13-9-6-10-15(22(27)28)16(13)20(24)25/h3-11H,2H2,1H3,(H,24,25)