methyl 4-(4-cyanophenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-(4-cyanobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(4-cyanobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N2O4/c1-23-18(22)16-11-20(14-4-2-3-5-15(14)24-16)17(21)13-8-6-12(10-19)7-9-13/h2-9,16H,11H2,1H3