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

Systemtic Name: N-[4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-(4-isopentyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: N-[4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-(4-isoamyl-3-keto-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

Isomeric SMILES

CC(C)CCN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

InChI

InChI=1S/C21H23N3O5/c1-14(2)9-10-23-12-16-11-17(5-8-19(16)29-13-20(23)25)22-21(26)15-3-6-18(7-4-15)24(27)28/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,22,26)