[2-[(4-chloranyl-3-methyl-phenyl)methyl]-5-methyl-pyrazol-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)methyl]-5-methyl-pyrazol-3-yl] 3,5-dinitrobenzoate Openeye Name: [2-[(4-chloro-3-methyl-phenyl)methyl]-5-methyl-pyrazol-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(4-chloro-3-methylphenyl)methyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[(4-chloro-3-methylphenyl)methyl]-5-methylpyrazol-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-(4-chloro-3-methyl-benzyl)-5-methyl-pyrazol-3-yl] ester Formula: C19H15ClN4O6 MolecularWeight: 430.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C(=CC(=N2)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C(=CC(=N2)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN4O6/c1-11-5-13(3-4-17(11)20)10-22-18(6-12(2)21-22)30-19(25)14-7-15(23(26)27)9-16(8-14)24(28)29/h3-9H,10H2,1-2H3