ethyl 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoate

Systemtic Name: ethyl 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoate CAS Name: 4-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]benzoate Traditional Name: 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoic acid ethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O5/c1-4-27-18(24)14-7-9-15(10-8-14)19-16(23)6-5-11-21-13(3)17(22(25)26)12(2)20-21/h7-10H,4-6,11H2,1-3H3,(H,19,23)