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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-13(2)19(15-8-9-17-18(12-15)28-11-5-10-27-17)22-21(24)16-7-4-6-14(3)20(16)23(25)26/h4,6-9,12-13,19H,5,10-11H2,1-3H3,(H,22,24)/t19-/m0/s1