1-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-[3-(2,5-dimethoxyphenyl)acryloyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O6/c1-28-17-9-10-18(29-2)16(15-17)8-11-20(25)22-13-6-12-21(22)19(24)7-4-3-5-14-23(26)27/h8-11,15H,3-7,12-14H2,1-2H3