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

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-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)17-9-6-10-18(13-17)25(28)29)24-19-11-4-5-12-21(19)30-14-20(24)16-7-2-1-3-8-16/h1-13,20H,14-15H2