N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-methyl-3,5-dinitro-benzamide Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O5/c1-11-17(25(28)29)8-15(9-18(11)26(30)31)20(27)22-19-12(2)23-24(13(19)3)10-14-6-4-5-7-16(14)21/h4-9H,10H2,1-3H3,(H,22,27)