4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide

Systemtic Name: 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide CAS Name: 4-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitrobenzamide Traditional Name: 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCC2=CN(N=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCC2=CN(N=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-8-11(17(20)21)3-10(4-12(8)18(22)23)13(19)14-5-9-6-15-16(2)7-9/h3-4,6-7H,5H2,1-2H3,(H,14,19)