methyl 2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C15H16ClN3O7S MolecularWeight: 417.82144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O7S/c1-3-6-18(8-14-17-12(9-26-14)15(20)25-2)27(23,24)10-4-5-11(16)13(7-10)19(21)22/h4-5,7,9H,3,6,8H2,1-2H3