methyl (2E)-2-(1,5-dihydro-1,4-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: methyl (2E)-2-(1,5-dihydro-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl (2E)-2-(1,5-dihydro-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-(1,5-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(1,5-dihydro-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-(1,5-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C=NCC2=CC=CC=C2N1

Isomeric SMILES

COC(=O)/C=C/1\C=NCC2=CC=CC=C2N1

InChI

InChI=1S/C12H12N2O2/c1-16-12(15)6-10-8-13-7-9-4-2-3-5-11(9)14-10/h2-6,8,14H,7H2,1H3/b10-6+