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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-12-17(13(2)30-23-12)11-29-21(26)16-7-5-4-6-15(16)20(25)14-8-9-18(22-3)19(10-14)24(27)28/h4-10,22H,11H2,1-3H3