4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-3-nitro-benzaldehyde

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-3-nitro-benzaldehyde Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-3-nitro-benzaldehyde CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-3-nitrobenzaldehyde Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-3-nitro-benzaldehyde Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-18(14-7-6-12(10-20)8-15(14)19(21)22)9-13-11-23-16-4-2-3-5-17(16)24-13/h2-8,10,13H,9,11H2,1H3/t13-/m0/s1