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

Systemtic Name: N-(2-ethyl-3-oxidanylidene-4-propan-2-yl-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Openeye Name: N-(2-ethyl-4-isopropyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: N-(2-ethyl-3-oxo-4-propan-2-yl-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide IUPAC Name: N-(2-ethyl-3-oxo-4-propan-2-yl-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide Traditional Name: N-(2-ethyl-4-isopropyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-4-18-21(26)23(13(2)3)12-15-11-16(7-10-19(15)29-18)22-20(25)14-5-8-17(9-6-14)24(27)28/h5-11,13,18H,4,12H2,1-3H3,(H,22,25)