4-azido-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-2,5-diphenyl-pyrrole-3-carbonitrile

Systemtic Name: 4-azido-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-2,5-diphenyl-pyrrole-3-carbonitrile Openeye Name: 4-azido-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-2,5-diphenyl-pyrrole-3-carbonitrile CAS Name: 4-azido-1-(1,3-dihydroxypropan-2-yloxymethyl)-2,5-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 4-azido-1-(1,3-dihydroxypropan-2-yloxymethyl)-2,5-diphenylpyrrole-3-carbonitrile Traditional Name: 4-azido-1-[(2-hydroxy-1-methylol-ethoxy)methyl]-2,5-diphenyl-pyrrole-3-carbonitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(N2COC(CO)CO)C3=CC=CC=C3)N=[N+]=[N-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(N2COC(CO)CO)C3=CC=CC=C3)N=[N+]=[N-])C#N

InChI

InChI=1S/C21H19N5O3/c22-11-18-19(24-25-23)21(16-9-5-2-6-10-16)26(14-29-17(12-27)13-28)20(18)15-7-3-1-4-8-15/h1-10,17,27-28H,12-14H2