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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

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