3-methyl-5-[(2-nitro-4-propan-2-yl-phenyl)amino]thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-methyl-5-[(2-nitro-4-propan-2-yl-phenyl)amino]thiophene-2,4-dicarboxylic acid Openeye Name: 5-(4-isopropyl-2-nitro-anilino)-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-(2-nitro-4-propan-2-ylanilino)thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(2-nitro-4-propan-2-ylanilino)thiophene-2,4-dicarboxylic acid Traditional Name: 5-(4-isopropyl-2-nitro-anilino)-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC2=C(C=C(C=C2)C(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC2=C(C=C(C=C2)C(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O6S/c1-7(2)9-4-5-10(11(6-9)18(23)24)17-14-12(15(19)20)8(3)13(25-14)16(21)22/h4-7,17H,1-3H3,(H,19,20)(H,21,22)