N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-(4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-(4-isobutyl-3-keto-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

Isomeric SMILES

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

InChI

InChI=1S/C20H21N3O5/c1-13(2)10-22-11-15-9-16(5-8-18(15)28-12-19(22)24)21-20(25)14-3-6-17(7-4-14)23(26)27/h3-9,13H,10-12H2,1-2H3,(H,21,25)