N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-22(13-16-14-28-19-6-2-3-7-20(19)29-16)21(25)15-8-9-17(18(12-15)24(26)27)23-10-4-5-11-23/h2-3,6-9,12,16H,4-5,10-11,13-14H2,1H3