1-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-(3-benzyl-2-imino-benzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-(3-benzyl-2-imino-benzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H22N4O4/c24-23-25(14-17-6-2-1-3-7-17)21-8-4-5-9-22(21)26(23)15-19(28)16-31-20-12-10-18(11-13-20)27(29)30/h1-13,19,24,28H,14-16H2