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

Systemtic Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[2-[1-(2-hydroxyethyl)-2-benzimidazolyl]-5-methyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4/c1-13-12-18(22-19(28)14-6-8-15(9-7-14)26(29)30)25(23-13)20-21-16-4-2-3-5-17(16)24(20)10-11-27/h2-9,12,27H,10-11H2,1H3,(H,22,28)