butyl 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid butyl ester Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN2O5S/c1-2-3-11-28-20(25)12-7-9-13(10-8-12)22-19(24)18-16(21)14-5-4-6-15(23(26)27)17(14)29-18/h4-10H,2-3,11H2,1H3,(H,22,24)