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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-13-16(14(2)27-20-13)12-26-19(23)15-7-8-17(18(11-15)22(24)25)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3