2-methyl-3-(4-nitrophenyl)carbonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-6-carboxylic acid

Systemtic Name: 2-methyl-3-(4-nitrophenyl)carbonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-6-carboxylic acid Openeye Name: 2-methyl-3-(4-nitrobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-6-carboxylic acid CAS Name: 2-methyl-3-[(4-nitrophenyl)-oxomethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-6-carboxylic acid IUPAC Name: 2-methyl-3-(4-nitrobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-6-carboxylic acid Traditional Name: 2-methyl-3-(4-nitrobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-6-carboxylic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C(CC2)C(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(S1)C(CC2)C(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-8-13(11-6-7-12(16(19)20)15(11)23-8)14(18)9-2-4-10(5-3-9)17(21)22/h2-5,12H,6-7H2,1H3,(H,19,20)