N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C2=CC3=C(C=C2)OCCO3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@H](C2=CC3=C(C=C2)OCCO3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-12(2)19(14-5-7-17-18(11-14)27-9-8-26-17)21-20(23)15-4-6-16(22(24)25)13(3)10-15/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,23)/t19-/m0/s1