1-methyl-4-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[2-(4-nitrophenyl)sulfonylethoxy-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-(2-nosylethoxycarbonylamino)pyrrole-2-carboxylic acid Formula: C15H15N3O8S MolecularWeight: 397.3599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)NC(=O)OCCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)O)NC(=O)OCCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O8S/c1-17-9-10(8-13(17)14(19)20)16-15(21)26-6-7-27(24,25)12-4-2-11(3-5-12)18(22)23/h2-5,8-9H,6-7H2,1H3,(H,16,21)(H,19,20)