(2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) ethanoate

Systemtic Name: (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) ethanoate Openeye Name: (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) acetate CAS Name: acetic acid (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) ester IUPAC Name: (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) acetate Traditional Name: acetic acid (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(=NC2=CC=CC=C12)C#N)(C)OC(=O)C

Isomeric SMILES

CC1=NC(C(=NC2=CC=CC=C12)C#N)(C)OC(=O)C

InChI

InChI=1S/C14H13N3O2/c1-9-11-6-4-5-7-12(11)16-13(8-15)14(3,17-9)19-10(2)18/h4-7H,1-3H3