methyl (E)-3-nitro-4-[1-(phenylsulfonyl)pyrrol-2-yl]but-3-enoate

Systemtic Name: methyl (E)-3-nitro-4-[1-(phenylsulfonyl)pyrrol-2-yl]but-3-enoate Openeye Name: methyl (E)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-3-nitro-but-3-enoate CAS Name: (E)-4-[1-(benzenesulfonyl)-2-pyrrolyl]-3-nitro-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-3-nitrobut-3-enoate Traditional Name: (E)-4-(1-besylpyrrol-2-yl)-3-nitro-but-3-enoic acid methyl ester Formula: C15H14N2O6S MolecularWeight: 350.34646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=CC1=CC=CN1S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C/C(=C\C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-23-15(18)11-13(17(19)20)10-12-6-5-9-16(12)24(21,22)14-7-3-2-4-8-14/h2-10H,11H2,1H3/b13-10+