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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H13N3O5/c18-15-7-6-13(20(22)23)9-14(15)17(21)24-10-12-8-16(25-19-12)11-4-2-1-3-5-11/h1-9H,10,18H2