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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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