(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-7-10(8(2)21-15-7)6-20-13(17)9-3-4-11(14)12(5-9)16(18)19/h3-5H,6,14H2,1-2H3