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

Systemtic Name: 4-chloranyl-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]iminomethyl]-6-nitro-phenolate Formula: C17H14ClN2O5- MolecularWeight: 361.75646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c1-10(11-2-3-15-16(7-11)25-5-4-24-15)19-9-12-6-13(18)8-14(17(12)21)20(22)23/h2-3,6-10,21H,4-5H2,1H3/p-1/t10-/m1/s1