ethyl (2E)-2-azanyl-2-(5-oxidanylidene-3,4-dihydro-1H-1,4-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: ethyl (2E)-2-azanyl-2-(5-oxidanylidene-3,4-dihydro-1H-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: ethyl (2E)-2-amino-2-(5-oxo-3,4-dihydro-1H-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-amino-2-(5-oxo-3,4-dihydro-1H-1,4-benzodiazepin-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-amino-2-(5-oxo-3,4-dihydro-1H-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-amino-2-(5-keto-3,4-dihydro-1H-1,4-benzodiazepin-2-ylidene)acetic acid ethyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CNC(=O)C2=CC=CC=C2N1)N

Isomeric SMILES

CCOC(=O)/C(=C\1/CNC(=O)C2=CC=CC=C2N1)/N

InChI

InChI=1S/C13H15N3O3/c1-2-19-13(18)11(14)10-7-15-12(17)8-5-3-4-6-9(8)16-10/h3-6,16H,2,7,14H2,1H3,(H,15,17)/b11-10+