ethyl 4-[(9-methyl-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepin-5-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(9-methyl-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepin-5-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(9-methyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carbonyl)amino]benzoate CAS Name: 4-[[(9-methyl-3-oxo-4,5-dihydro-1,4-benzoxazepin-5-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9-methyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carbonyl)amino]benzoate Traditional Name: 4-[(3-keto-9-methyl-4,5-dihydro-1,4-benzoxazepine-5-carbonyl)amino]benzoic acid ethyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3=C(C(=CC=C3)C)OCC(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3=C(C(=CC=C3)C)OCC(=O)N2

InChI

InChI=1S/C20H20N2O5/c1-3-26-20(25)13-7-9-14(10-8-13)21-19(24)17-15-6-4-5-12(2)18(15)27-11-16(23)22-17/h4-10,17H,3,11H2,1-2H3,(H,21,24)(H,22,23)