4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide

Systemtic Name: 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide Openeye Name: 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide CAS Name: 4-nitro-N-[2-(4-nitro-1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide Traditional Name: 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCN2C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCN2C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5/c18-12(9-1-3-10(4-2-9)16(19)20)13-5-6-15-8-11(7-14-15)17(21)22/h1-4,7-8H,5-6H2,(H,13,18)