3-(2,5-dimethoxyphenyl)-1-[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=CSC(=C3OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=CSC(=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-28-14-6-7-16(29-2)13(11-14)5-8-17(24)21-9-4-10-22(21)19(25)15-12-31-20(23(26)27)18(15)30-3/h5-8,11-12H,4,9-10H2,1-3H3