ethyl 3-[[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CSC(=C3OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CSC(=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7S/c1-3-30-18(25)12-6-4-7-13(10-12)20-19(26)22-9-5-8-21(22)16(24)14-11-31-17(23(27)28)15(14)29-2/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,20,26)