2-[(3,5-dinitrophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-5-methyl-thiophene-3-carboxylic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-5-methyl-3-thenoic acid Formula: C13H9N3O7S MolecularWeight: 351.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O7S/c1-6-2-10(13(18)19)12(24-6)14-11(17)7-3-8(15(20)21)5-9(4-7)16(22)23/h2-5H,1H3,(H,14,17)(H,18,19)