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

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitrobenzamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5/c1-15-7-8(6-14-15)5-13-12(18)9-2-10(16(19)20)4-11(3-9)17(21)22/h2-4,6-7H,5H2,1H3,(H,13,18)