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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6/c1-12-9-14(22-29-12)11-28-20(25)16-6-4-3-5-15(16)19(24)13-7-8-17(21-2)18(10-13)23(26)27/h3-10,21H,11H2,1-2H3