butyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O5/c1-4-5-10-27-18(24)14-6-8-15(9-7-14)19-16(23)11-21-13(3)17(22(25)26)12(2)20-21/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)