methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate

Systemtic Name: methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate Openeye Name: methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate CAS Name: 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate Traditional Name: 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoic acid methyl ester Formula: C21H16N2O7S MolecularWeight: 440.42594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C21H16N2O7S/c1-29-21(24)16-6-2-5-9-20(16)31(27,28)22-13-14-12-15(23(25)26)10-11-18(14)30-19-8-4-3-7-17(19)22/h2-12H,13H2,1H3