1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanone Openeye Name: 2-(2-allyl-4-nitro-phenoxy)-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(4-nitro-2-prop-2-enylphenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-nitro-2-prop-2-enylphenoxy)ethanone Traditional Name: 2-(2-allyl-4-nitro-phenoxy)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C22H22N2O4S/c1-4-6-17-12-18(24(26)27)8-9-22(17)28-14-21(25)20-11-15(2)23(16(20)3)13-19-7-5-10-29-19/h4-5,7-12H,1,6,13-14H2,2-3H3