1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-(2-nitroanilino)propan-1-one Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O5/c25-21(9-10-22-16-4-1-2-5-18(16)24(26)27)23-11-3-6-17(23)15-7-8-19-20(14-15)29-13-12-28-19/h1-2,4-5,7-8,14,17,22H,3,6,9-13H2