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

Systemtic Name: N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[3-keto-4-[2-(4-methoxyphenyl)ethyl]-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCC2=O

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCC2=O

InChI

InChI=1S/C25H23N3O6/c1-33-22-9-2-17(3-10-22)12-13-27-15-19-14-20(6-11-23(19)34-16-24(27)29)26-25(30)18-4-7-21(8-5-18)28(31)32/h2-11,14H,12-13,15-16H2,1H3,(H,26,30)