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

Systemtic Name: 4-[1,3-bis(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-2-yl]benzenecarbonitrile Openeye Name: 4-[2-(3-methyl-4-nitro-isoxazol-5-yl)-1-[(3-methyl-4-nitro-isoxazol-5-yl)methyl]ethyl]benzonitrile CAS Name: 4-[1,3-bis(3-methyl-4-nitro-5-isoxazolyl)propan-2-yl]benzonitrile IUPAC Name: 4-[1,3-bis(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-2-yl]benzonitrile Traditional Name: 4-[2-(3-methyl-4-nitro-isoxazol-5-yl)-1-[(3-methyl-4-nitro-isoxazol-5-yl)methyl]ethyl]benzonitrile Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])CC(CC2=C(C(=NO2)C)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])CC(CC2=C(C(=NO2)C)[N+](=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N5O6/c1-10-17(22(24)25)15(28-20-10)7-14(13-5-3-12(9-19)4-6-13)8-16-18(23(26)27)11(2)21-29-16/h3-6,14H,7-8H2,1-2H3