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

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-19-15-8-7-13(9-17(15)21(23)24)18(22)25-11-14-10-16(20-26-14)12-5-3-2-4-6-12/h2-10,19H,11H2,1H3