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

Systemtic Name: 4-chloranyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-6-nitro-phenolate Formula: C16H12ClN2O5- MolecularWeight: 347.72988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CN=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O5/c17-11-5-10(16(20)13(6-11)19(21)22)7-18-8-12-9-23-14-3-1-2-4-15(14)24-12/h1-7,12,20H,8-9H2/p-1/t12-/m1/s1