[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O6/c26-22(15-31-23(27)17-10-4-5-11-18(17)25(28)29)24-19-12-6-7-13-21(19)30-14-20(24)16-8-2-1-3-9-16/h1-13,20H,14-15H2