2-chloranyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O5/c17-13-6-5-10(19(21)22)7-12(13)16(20)18-8-11-9-23-14-3-1-2-4-15(14)24-11/h1-7,11H,8-9H2,(H,18,20)/t11-/m0/s1