2-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3-nitro-benzenecarbonitrile Openeye Name: 2-[3-(3-methylisoxazol-5-yl)propoxy]-3-nitro-benzonitrile CAS Name: 2-[3-(3-methyl-5-isoxazolyl)propoxy]-3-nitrobenzonitrile IUPAC Name: 2-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3-nitrobenzonitrile Traditional Name: 2-[3-(3-methylisoxazol-5-yl)propoxy]-3-nitro-benzonitrile Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CCCOC2=C(C=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NOC(=C1)CCCOC2=C(C=CC=C2[N+](=O)[O-])C#N

InChI

InChI=1S/C14H13N3O4/c1-10-8-12(21-16-10)5-3-7-20-14-11(9-15)4-2-6-13(14)17(18)19/h2,4,6,8H,3,5,7H2,1H3