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

Systemtic Name: [(8-chloranyl-4-ethanoyl-6-phenyl-3H-1,4,5-benzotriazocin-2-yl)amino] ethanoate Openeye Name: [(4-acetyl-8-chloro-6-phenyl-3H-1,4,5-benzotriazocin-2-yl)amino] acetate CAS Name: acetic acid [(4-acetyl-8-chloro-6-phenyl-3H-1,4,5-benzotriazocin-2-yl)amino] ester IUPAC Name: [(4-acetyl-8-chloro-6-phenyl-3H-1,4,5-benzotriazocin-2-yl)amino] acetate Traditional Name: acetic acid [(4-acetyl-8-chloro-6-phenyl-3H-1,4,5-benzotriazocin-2-yl)amino] ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NOC(=O)C

Isomeric SMILES

CC(=O)N1CC(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NOC(=O)C

InChI

InChI=1S/C19H17ClN4O3/c1-12(25)24-11-18(23-27-13(2)26)21-17-9-8-15(20)10-16(17)19(22-24)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,23)