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

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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