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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-10-7-12(17-24-10)9-23-15(19)11-3-4-13(16-5-6-22-2)14(8-11)18(20)21/h3-4,7-8,16H,5-6,9H2,1-2H3