2-(5-ethylthiophen-2-yl)carbonyl-5-nitro-benzoic acid

Systemtic Name: 2-(5-ethylthiophen-2-yl)carbonyl-5-nitro-benzoic acid Openeye Name: 2-(5-ethylthiophene-2-carbonyl)-5-nitro-benzoic acid CAS Name: 2-[(5-ethyl-2-thiophenyl)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 2-(5-ethylthiophene-2-carbonyl)-5-nitrobenzoic acid Traditional Name: 2-(5-ethylthiophene-2-carbonyl)-5-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11NO5S/c1-2-9-4-6-12(21-9)13(16)10-5-3-8(15(19)20)7-11(10)14(17)18/h3-7H,2H2,1H3,(H,17,18)