2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylamino]-5-nitro-benzonitrile Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H12N4O3/c1-8-12(9(2)20-16-8)7-15-13-4-3-11(17(18)19)5-10(13)6-14/h3-5,15H,7H2,1-2H3