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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O7S/c1-12-17(8-13-6-4-3-5-7-13)32-20(18(12)21(26)31-2)22-19(25)14-9-15(23(27)28)11-16(10-14)24(29)30/h3-7,9-11H,8H2,1-2H3,(H,22,25)