5-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzamide Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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