3-chloranyl-7-(4-chloranylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 3-chloranyl-7-(4-chloranylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-chloro-7-(4-chlorophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-chloro-7-(4-chlorophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 3-chloro-7-(4-chlorophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-chloro-7-(4-chlorophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C19H10Cl2N2O5 MolecularWeight: 417.1991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC3=C2C(=O)NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC3=C2C(=O)NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H10Cl2N2O5/c20-10-1-4-13(5-2-10)27-16-8-12(23(25)26)9-17-18(16)19(24)22-14-7-11(21)3-6-15(14)28-17/h1-9H,(H,22,24)