ethyl 4-[2-[(2,4-dimethyl-1,5-benzodiazepin-3-ylidene)amino]oxyethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(2,4-dimethyl-1,5-benzodiazepin-3-ylidene)amino]oxyethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(2,4-dimethyl-1,5-benzodiazepin-3-ylidene)amino]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(2,4-dimethyl-1,5-benzodiazepin-3-ylidene)amino]oxy-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2,4-dimethyl-1,5-benzodiazepin-3-ylidene)amino]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(2,4-dimethyl-1,5-benzodiazepin-3-ylidene)amino]oxyacetyl]amino]benzoic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CON=C2C(=NC3=CC=CC=C3N=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CON=C2C(=NC3=CC=CC=C3N=C2C)C

InChI

InChI=1S/C22H22N4O4/c1-4-29-22(28)16-9-11-17(12-10-16)25-20(27)13-30-26-21-14(2)23-18-7-5-6-8-19(18)24-15(21)3/h5-12H,4,13H2,1-3H3,(H,25,27)