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

Systemtic Name: N-(4-ethyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(4-ethyl-5-keto-2,3-dihydro-1,4-benzoxazepin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H21N3O7/c1-4-22-7-8-30-16-6-5-12(9-14(16)20(22)25)21-19(24)13-10-17(28-2)18(29-3)11-15(13)23(26)27/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,24)