methyl 2-[9-(4-azanyl-3-methoxy-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-3-yl]ethanoate

Systemtic Name: methyl 2-[9-(4-azanyl-3-methoxy-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-3-yl]ethanoate Openeye Name: methyl 2-[9-(4-amino-3-methoxy-phenyl)-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl]acetate CAS Name: 2-[9-(4-amino-3-methoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[9-(4-amino-3-methoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl]acetate Traditional Name: 2-[9-(4-amino-3-methoxy-phenyl)-6-keto-5H-benzo[b][1,4]benzoxazepin-3-yl]acetic acid methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(O3)C=CC(=C4)CC(=O)OC)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(O3)C=CC(=C4)CC(=O)OC)N

InChI

InChI=1S/C23H20N2O5/c1-28-21-12-15(5-7-17(21)24)14-4-6-16-20(11-14)30-19-8-3-13(10-22(26)29-2)9-18(19)25-23(16)27/h3-9,11-12H,10,24H2,1-2H3,(H,25,27)