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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c24-20(14-6-9-17(21-15-7-8-15)18(10-14)23(25)26)27-12-16-11-19(28-22-16)13-4-2-1-3-5-13/h1-6,9-11,15,21H,7-8,12H2