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

Systemtic Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide CAS Name: N-[2-[1-(2-hydroxyethyl)-2-benzimidazolyl]-5-methyl-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C20H17N7O6 MolecularWeight: 451.39228

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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=C4N3CCO

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4N3CCO

InChI

InChI=1S/C20H17N7O6/c1-12-8-18(22-19(29)13-9-14(26(30)31)11-15(10-13)27(32)33)25(23-12)20-21-16-4-2-3-5-17(16)24(20)6-7-28/h2-5,8-11,28H,6-7H2,1H3,(H,22,29)