methyl 5-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

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