2-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate

Systemtic Name: 2-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: 2-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 2-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate IUPAC Name: 2-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 2-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate Formula: C16H13N2O5- MolecularWeight: 313.28482

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1CC3=CC=CC=C3C(=O)[O-])C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(N1CC3=CC=CC=C3C(=O)[O-])C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c19-16(20)13-4-2-1-3-11(13)10-17-7-8-23-15-6-5-12(18(21)22)9-14(15)17/h1-6,9H,7-8,10H2,(H,19,20)/p-1