4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(3-methylisoxazol-5-yl)propoxy]-3-nitro-benzonitrile CAS Name: 4-[3-(3-methyl-5-isoxazolyl)propoxy]-3-nitrobenzonitrile IUPAC Name: 4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3-nitrobenzonitrile Traditional Name: 4-[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=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-10-7-12(21-16-10)3-2-6-20-14-5-4-11(9-15)8-13(14)17(18)19/h4-5,7-8H,2-3,6H2,1H3