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

Systemtic Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[2-ethyl-4-(2-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C25H22FN3O5 MolecularWeight: 463.457683

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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=CC=C4F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4F

InChI

InChI=1S/C25H22FN3O5/c1-2-22-25(31)28(14-17-5-3-4-6-21(17)26)15-18-13-19(9-12-23(18)34-22)27-24(30)16-7-10-20(11-8-16)29(32)33/h3-13,22H,2,14-15H2,1H3,(H,27,30)