2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-pyridine

Systemtic Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-pyridine Openeye Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-pyridine CAS Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-5-nitropyridine IUPAC Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitropyridine Traditional Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-5-nitro-pyridine Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c21-20(22)13-4-6-17(18-11-13)19-7-1-2-14(19)12-3-5-15-16(10-12)24-9-8-23-15/h3-6,10-11,14H,1-2,7-9H2/t14-/m0/s1