methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O7S/c1-11-5-6-14(7-12(11)2)18-13(3)33-21(19(18)22(27)32-4)23-20(26)15-8-16(24(28)29)10-17(9-15)25(30)31/h5-10H,1-4H3,(H,23,26)