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

Systemtic Name: cyclohexyl 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid cyclohexyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN2O5S/c23-18-16-7-4-8-17(25(28)29)19(16)31-20(18)21(26)24-14-11-9-13(10-12-14)22(27)30-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,24,26)