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

Systemtic Name: 3-chloranyl-7-(4-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-chloro-7-(4-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-chloro-7-(4-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 3-chloro-7-(4-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-chloro-7-(4-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C20H13ClN2O5 MolecularWeight: 396.78062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN2O5/c1-11-2-5-14(6-3-11)27-17-9-13(23(25)26)10-18-19(17)20(24)22-15-8-12(21)4-7-16(15)28-18/h2-10H,1H3,(H,22,24)