N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-2-furancarboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-2-furamide Formula: C19H21N3O6 MolecularWeight: 387.38654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

InChI=1S/C19H21N3O6/c1-4-9-21-13-6-5-12(10-15(13)27-11-19(2,3)18(21)24)20-17(23)14-7-8-16(28-14)22(25)26/h5-8,10H,4,9,11H2,1-3H3,(H,20,23)