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

Systemtic Name: 3-chloranyl-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-chloro-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-chloro-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 3-chloro-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-chloro-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN2O6/c1-27-13-3-5-14(6-4-13)28-17-9-12(23(25)26)10-18-19(17)20(24)22-15-8-11(21)2-7-16(15)29-18/h2-10H,1H3,(H,22,24)