methyl 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O7S/c1-11-4-6-14(12(2)8-11)16-10-32-20(18(16)21(26)31-3)22-19(25)15-7-5-13(23(27)28)9-17(15)24(29)30/h4-10H,1-3H3,(H,22,25)