butyl 2-[(2,4-dinitrophenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[(2,4-dinitrophenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(2,4-dinitrobenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2,4-dinitrobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2,4-dinitrobenzoyl)amino]benzothiophene-3-carboxylic acid butyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S/c1-2-3-10-30-20(25)17-14-6-4-5-7-16(14)31-19(17)21-18(24)13-9-8-12(22(26)27)11-15(13)23(28)29/h4-9,11H,2-3,10H2,1H3,(H,21,24)