N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(5-methyl-3-nitro-1-pyrazolyl)ethyl]-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O5/c1-12-8-16(24(28)29)20-22(12)7-6-18-17(25)14-4-2-13(3-5-14)10-21-11-15(9-19-21)23(26)27/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,25)