[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(3-methyl-4-nitro-phenyl)methanone Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-13-11-15(4-6-16(13)22(24)25)20(23)21-8-2-3-17(21)14-5-7-18-19(12-14)27-10-9-26-18/h4-7,11-12,17H,2-3,8-10H2,1H3/t17-/m0/s1