ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methyl-4-nitro-benzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-4-nitrobenzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O7S/c1-3-31-21(26)18-16(13-5-4-6-15(10-13)23(27)28)11-32-20(18)22-19(25)14-7-8-17(24(29)30)12(2)9-14/h4-11H,3H2,1-2H3,(H,22,25)