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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C25H31N3O7 MolecularWeight: 485.52954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C25H31N3O7/c1-15(2)9-10-27-19-11-16(7-8-20(19)35-14-25(3,4)24(27)30)26-23(29)17-12-21(33-5)22(34-6)13-18(17)28(31)32/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,26,29)