2-(2-nitrophenyl)-5-(3-oxidanylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(2-nitrophenyl)-5-(3-oxidanylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-hydroxypropylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(3-hydroxypropylamino)-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(3-hydroxypropylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-hydroxypropylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=C(O2)NCCCO)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=C(O2)NCCCO)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4/c14-8-10-13(15-6-3-7-18)21-12(16-10)9-4-1-2-5-11(9)17(19)20/h1-2,4-5,15,18H,3,6-7H2