4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzaldehyde

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzaldehyde Openeye Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzaldehyde CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzaldehyde Traditional Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzaldehyde Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c19-9-11-5-6-13(14(7-11)18(20)21)17-8-12-10-22-15-3-1-2-4-16(15)23-12/h1-7,9,12,17H,8,10H2/t12-/m1/s1