N-[5-methyl-2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-methyl-2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-methyl-2-[1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3,5-dinitro-benzamide CAS Name: N-[5-methyl-2-[1-(2-oxolanylmethyl)-2-benzimidazolyl]-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[5-methyl-2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-methyl-2-[1-(tetrahydrofurfuryl)benzimidazol-2-yl]pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C23H21N7O6 MolecularWeight: 491.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4N3CC5CCCO5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4N3CC5CCCO5

InChI

InChI=1S/C23H21N7O6/c1-14-9-21(25-22(31)15-10-16(29(32)33)12-17(11-15)30(34)35)28(26-14)23-24-19-6-2-3-7-20(19)27(23)13-18-5-4-8-36-18/h2-3,6-7,9-12,18H,4-5,8,13H2,1H3,(H,25,31)