ethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(hydroxymethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(hydroxymethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-(5-chloro-2-nitro-phenyl)sulfonyl-4-(hydroxymethyl)pyrrole-2-carboxylate CAS Name: 1-(5-chloro-2-nitrophenyl)sulfonyl-4-(hydroxymethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-2-nitrophenyl)sulfonyl-4-(hydroxymethyl)pyrrole-2-carboxylate Traditional Name: 1-(5-chloro-2-nitro-phenyl)sulfonyl-4-methylol-pyrrole-2-carboxylic acid ethyl ester Formula: C14H13ClN2O7S MolecularWeight: 388.78022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CO

Isomeric SMILES

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CO

InChI

InChI=1S/C14H13ClN2O7S/c1-2-24-14(19)12-5-9(8-18)7-16(12)25(22,23)13-6-10(15)3-4-11(13)17(20)21/h3-7,18H,2,8H2,1H3