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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-8-5-10(15-21-8)7-20-13(17)9-3-4-11(14-2)12(6-9)16(18)19/h3-6,14H,7H2,1-2H3