4-methyl-3-[(5-nitrothiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(5-nitrothiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid CAS Name: 4-methyl-3-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-methyl-3-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5S/c1-7-2-3-8(13(17)18)6-9(7)14-12(16)10-4-5-11(21-10)15(19)20/h2-6H,1H3,(H,14,16)(H,17,18)