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

Systemtic Name: N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(C)C

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(C)C

InChI

InChI=1S/C22H25N3O5/c1-14(2)10-11-24-13-17-12-18(6-9-20(17)30-15(3)22(24)27)23-21(26)16-4-7-19(8-5-16)25(28)29/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,26)