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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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