(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-13-17(14(2)28-22-13)12-27-20(24)16-8-9-18(19(10-16)23(25)26)21-11-15-6-4-3-5-7-15/h3-10,21H,11-12H2,1-2H3