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

Systemtic Name: 3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C17H18ClN5O5S MolecularWeight: 439.87332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CSC(=C3OC)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CSC(=C3OC)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H18ClN5O5S/c1-10-11(15(18)20(2)19-10)5-6-13(24)21-7-4-8-22(21)16(25)12-9-29-17(23(26)27)14(12)28-3/h5-6,9H,4,7-8H2,1-3H3