[4-(4-nitrophenyl)carbonyloxy-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-nitrobenzoate

Systemtic Name: [4-(4-nitrophenyl)carbonyloxy-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-nitrobenzoate Openeye Name: [4-(4-nitrobenzoyl)oxy-4,5-dihydroisoxazol-3-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-nitrophenyl)-oxomethoxy]-4,5-dihydroisoxazol-3-yl]methyl ester IUPAC Name: [4-(4-nitrobenzoyl)oxy-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(4-nitrobenzoyl)oxy-2-isoxazolin-3-yl]methyl ester Formula: C18H13N3O9 MolecularWeight: 415.31052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=NO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O9/c22-17(11-1-5-13(6-2-11)20(24)25)28-9-15-16(10-29-19-15)30-18(23)12-3-7-14(8-4-12)21(26)27/h1-8,16H,9-10H2