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

Systemtic Name: N-(4-cyclopropyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Openeye Name: N-(4-cyclopropyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: N-(4-cyclopropyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide IUPAC Name: N-(4-cyclopropyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide Traditional Name: N-(4-cyclopropyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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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-])C4CC4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C21H21N3O5/c1-2-18-21(26)23(16-8-9-16)12-14-11-15(5-10-19(14)29-18)22-20(25)13-3-6-17(7-4-13)24(27)28/h3-7,10-11,16,18H,2,8-9,12H2,1H3,(H,22,25)