(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3,5-dinitrobenzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3,5-dinitrobenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C18H13ClN4O6 MolecularWeight: 416.77202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN4O6/c1-11-16(17(19)21(20-11)13-5-3-2-4-6-13)10-29-18(24)12-7-14(22(25)26)9-15(8-12)23(27)28/h2-9H,10H2,1H3