2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H15N2O5- MolecularWeight: 327.3114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16N2O5/c1-11(12-2-5-16-17(9-12)24-7-6-23-16)18-10-13-8-14(19(21)22)3-4-15(13)20/h2-5,8-11,20H,6-7H2,1H3/p-1/t11-/m1/s1