ethyl 7-[(4-cyanophenyl)carbonylamino]-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 7-[(4-cyanophenyl)carbonylamino]-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 7-[(4-cyanobenzoyl)amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate CAS Name: 7-[[(4-cyanophenyl)-oxomethyl]amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[(4-cyanobenzoyl)amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate Traditional Name: 7-[(4-cyanobenzoyl)amino]-3-keto-2-methyl-4H-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H17N3O5/c1-3-27-19(26)20(2)18(25)23-15-9-8-14(10-16(15)28-20)22-17(24)13-6-4-12(11-21)5-7-13/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)