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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-9-13(10(2)24-18-9)8-23-16(20)11-3-6-14(17-12-4-5-12)15(7-11)19(21)22/h3,6-7,12,17H,4-5,8H2,1-2H3