ethyl 6-[(4-cyanophenyl)carbonylamino]-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 6-[(4-cyanophenyl)carbonylamino]-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 6-[(4-cyanobenzoyl)amino]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carboxylate CAS Name: 6-[[(4-cyanophenyl)-oxomethyl]amino]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-cyanobenzoyl)amino]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carboxylate Traditional Name: 6-[(4-cyanobenzoyl)amino]-3-keto-2,4-dimethyl-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)C)C

Isomeric SMILES

CCOC(=O)C1(C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)C)C

InChI

InChI=1S/C21H19N3O5/c1-4-28-20(27)21(2)19(26)24(3)16-11-15(9-10-17(16)29-21)23-18(25)14-7-5-13(12-22)6-8-14/h5-11H,4H2,1-3H3,(H,23,25)