4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-nitro-benzaldehyde Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H18N2O5/c22-12-13-3-5-16(17(10-13)21(23)24)20-7-1-2-15(20)14-4-6-18-19(11-14)26-9-8-25-18/h3-6,10-12,15H,1-2,7-9H2/t15-/m1/s1