[[(5Z)-8-chloranyl-6-phenyl-3H-4,1,5-benzoxadiazocin-2-yl]amino] ethanoate

Systemtic Name: [[(5Z)-8-chloranyl-6-phenyl-3H-4,1,5-benzoxadiazocin-2-yl]amino] ethanoate Openeye Name: [[(5Z)-8-chloro-6-phenyl-3H-4,1,5-benzoxadiazocin-2-yl]amino] acetate CAS Name: acetic acid [[(5Z)-8-chloro-6-phenyl-3H-4,1,5-benzoxadiazocin-2-yl]amino] ester IUPAC Name: [[(5Z)-8-chloro-6-phenyl-3H-4,1,5-benzoxadiazocin-2-yl]amino] acetate Traditional Name: acetic acid [[(5Z)-8-chloro-6-phenyl-3H-4,1,5-benzoxadiazocin-2-yl]amino] ester Formula: C17H14ClN3O3 MolecularWeight: 343.76436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ONC1=NC2=C(C=C(C=C2)Cl)C(=NOC1)C3=CC=CC=C3

Isomeric SMILES

CC(=O)ONC1=NC2=C(C=C(C=C2)Cl)/C(=N\OC1)/C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3O3/c1-11(22)24-20-16-10-23-21-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)19-16/h2-9H,10H2,1H3,(H,19,20)/b21-17-