ethyl 10-methoxy-6-methyl-5-oxidanidyl-benzo[b][1,4]benzoxazepin-5-ium-3-carboxylate

Systemtic Name: ethyl 10-methoxy-6-methyl-5-oxidanidyl-benzo[b][1,4]benzoxazepin-5-ium-3-carboxylate Openeye Name: ethyl 10-methoxy-6-methyl-5-oxido-benzo[b][1,4]benzoxazepin-5-ium-3-carboxylate CAS Name: 10-methoxy-6-methyl-5-oxido-3-benzo[b][1,4]benzoxazepin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 10-methoxy-6-methyl-5-oxidobenzo[b][1,4]benzoxazepin-5-ium-3-carboxylate Traditional Name: 10-methoxy-6-methyl-5-oxido-benzo[b][1,4]benzoxazepin-5-ium-3-carboxylic acid ethyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=CC=C3OC)C(=[N+]2[O-])C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=CC=C3OC)C(=[N+]2[O-])C

InChI

InChI=1S/C18H17NO5/c1-4-23-18(20)12-8-9-15-14(10-12)19(21)11(2)13-6-5-7-16(22-3)17(13)24-15/h5-10H,4H2,1-3H3