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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-11-8-13(24-17-11)10-23-16(20)12-4-5-14(15(9-12)19(21)22)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3