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

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[4-(4-chlorobenzyl)-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C25H22ClN3O5 MolecularWeight: 479.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O5/c1-2-22-25(31)28(14-16-3-7-19(26)8-4-16)15-18-13-20(9-12-23(18)34-22)27-24(30)17-5-10-21(11-6-17)29(32)33/h3-13,22H,2,14-15H2,1H3,(H,27,30)