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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)NC1=O)C

InChI

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