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

Systemtic Name: 4-chloranyl-N-(3,3-dimethyl-5-oxidanylidene-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(5-keto-3,3-dimethyl-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-nitro-benzamide Formula: C18H16ClN3O5 MolecularWeight: 389.78974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N1)C

InChI

InChI=1S/C18H16ClN3O5/c1-18(2)9-27-15-6-4-11(8-12(15)17(24)21-18)20-16(23)10-3-5-13(19)14(7-10)22(25)26/h3-8H,9H2,1-2H3,(H,20,23)(H,21,24)