1-[2-[1-(4-methoxyphenyl)cyclopropyl]carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-[1-(4-methoxyphenyl)cyclopropyl]carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCN3C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCN3C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-28-17-9-7-16(8-10-17)20(11-12-20)19(25)22-14-5-13-21(22)18(24)6-3-2-4-15-23(26)27/h7-10H,2-6,11-15H2,1H3