N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-methyl-4-nitro-benzamide Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-13(2)20(15-6-8-18-19(12-15)28-10-4-9-27-18)22-21(24)16-5-7-17(23(25)26)14(3)11-16/h5-8,11-13,20H,4,9-10H2,1-3H3,(H,22,24)/t20-/m0/s1