[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-nitro-benzimidazol-2-yl]-phenyl-methanol

Systemtic Name: [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-nitro-benzimidazol-2-yl]-phenyl-methanol Openeye Name: [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-nitro-benzimidazol-2-yl]-phenyl-methanol CAS Name: [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-nitro-2-benzimidazolyl]-phenylmethanol IUPAC Name: [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-nitrobenzimidazol-2-yl]-phenylmethanol Traditional Name: [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-nitro-benzimidazol-2-yl]-phenyl-methanol Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CN2C3=C(C=CC=C3[N+](=O)[O-])N=C2C(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(OCC(O1)CN2C3=C(C=CC=C3[N+](=O)[O-])N=C2C(C4=CC=CC=C4)O)C

InChI

InChI=1S/C20H21N3O5/c1-20(2)27-12-14(28-20)11-22-17-15(9-6-10-16(17)23(25)26)21-19(22)18(24)13-7-4-3-5-8-13/h3-10,14,18,24H,11-12H2,1-2H3