methyl N-(5-tert-butyl-4-chloranyl-1H-pyrazol-3-yl)-4-(4-nitrophenoxy)butanimidate

Systemtic Name: methyl N-(5-tert-butyl-4-chloranyl-1H-pyrazol-3-yl)-4-(4-nitrophenoxy)butanimidate Openeye Name: methyl N-(5-tert-butyl-4-chloro-1H-pyrazol-3-yl)-4-(4-nitrophenoxy)butanimidate CAS Name: N-(5-tert-butyl-4-chloro-1H-pyrazol-3-yl)-4-(4-nitrophenoxy)butanimidic acid methyl ester IUPAC Name: methyl N-(5-tert-butyl-4-chloro-1H-pyrazol-3-yl)-4-(4-nitrophenoxy)butanimidate Traditional Name: N-(5-tert-butyl-4-chloro-1H-pyrazol-3-yl)-4-(4-nitrophenoxy)butyrimidic acid methyl ester Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NN1)N=C(CCCOC2=CC=C(C=C2)[N+](=O)[O-])OC)Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=NN1)N=C(CCCOC2=CC=C(C=C2)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C18H23ClN4O4/c1-18(2,3)16-15(19)17(22-21-16)20-14(26-4)6-5-11-27-13-9-7-12(8-10-13)23(24)25/h7-10H,5-6,11H2,1-4H3,(H,21,22)