[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14ClN3O7S MolecularWeight: 451.83766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O7S/c1-2-8-20-30(27,28)14-5-3-4-12(9-14)18(24)29-11-17(23)21-16-7-6-13(22(25)26)10-15(16)19/h1,3-7,9-10,20H,8,11H2,(H,21,23)