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

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)methyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzoate Openeye Name: [2-[(3-chloro-4-methyl-phenyl)methyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzoate CAS Name: 3,4-dinitrobenzoic acid [2-[(3-chloro-4-methylphenyl)methyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[(3-chloro-4-methylphenyl)methyl]-5-methylpyrazol-3-yl] 3,4-dinitrobenzoate Traditional Name: 3,4-dinitrobenzoic acid [2-(3-chloro-4-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=C(C=C1)CN2C(=CC(=N2)C)OC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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