(2S)-2-(6-chloranylbenzotriazol-1-yl)oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(6-chloranylbenzotriazol-1-yl)oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: (2S)-2-[(6-chloro-1-benzotriazolyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-veratryl-propionamide Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)ON2C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)ON2C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C18H19ClN4O4/c1-11(27-23-15-9-13(19)5-6-14(15)21-22-23)18(24)20-10-12-4-7-16(25-2)17(8-12)26-3/h4-9,11H,10H2,1-3H3,(H,20,24)/t11-/m0/s1