(2E)-2-(4-methyl-5-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-2-ylidene)butanoate

Systemtic Name: (2E)-2-(4-methyl-5-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-2-ylidene)butanoate Openeye Name: (2E)-2-(4-methyl-5-oxo-1,3-dihydro-1,4-benzodiazepin-2-ylidene)butanoate CAS Name: (2E)-2-(4-methyl-5-oxo-1,3-dihydro-1,4-benzodiazepin-2-ylidene)butanoate IUPAC Name: (2E)-2-(4-methyl-5-oxo-1,3-dihydro-1,4-benzodiazepin-2-ylidene)butanoate Traditional Name: (2E)-2-(5-keto-4-methyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)butyrate Formula: C14H15N2O3- MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1CN(C(=O)C2=CC=CC=C2N1)C)C(=O)[O-]

Isomeric SMILES

CC/C(=C\1/CN(C(=O)C2=CC=CC=C2N1)C)/C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-3-9(14(18)19)12-8-16(2)13(17)10-6-4-5-7-11(10)15-12/h4-7,15H,3,8H2,1-2H3,(H,18,19)/p-1/b12-9+