propyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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