3,4-bis(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3,4-bis(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3,4-bis(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)cyclobut-3-ene-1,2-dione CAS Name: 3,4-bis(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)cyclobut-3-ene-1,2-dione IUPAC Name: 3,4-bis(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3,4-bis(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)cyclobut-3-ene-1,2-quinone Formula: C30H18Cl2N2O4 MolecularWeight: 541.38092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C4=C(C(=O)C4=O)N5CC6=CC=CC=C6OC7=C5C=C(C=C7)Cl)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C4=C(C(=O)C4=O)N5CC6=CC=CC=C6OC7=C5C=C(C=C7)Cl)C=C(C=C3)Cl

InChI

InChI=1S/C30H18Cl2N2O4/c31-19-9-11-25-21(13-19)33(15-17-5-1-3-7-23(17)37-25)27-28(30(36)29(27)35)34-16-18-6-2-4-8-24(18)38-26-12-10-20(32)14-22(26)34/h1-14H,15-16H2