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

Systemtic Name: ethyl 7-[(4-cyanophenyl)carbonylamino]-2-methyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-benzyl-7-[(4-cyanobenzoyl)amino]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxylate CAS Name: 7-[[(4-cyanophenyl)-oxomethyl]amino]-2-methyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-7-[(4-cyanobenzoyl)amino]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxylate Traditional Name: 4-benzyl-7-[(4-cyanobenzoyl)amino]-3-keto-2-methyl-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H23N3O5/c1-3-34-26(33)27(2)25(32)30(17-19-7-5-4-6-8-19)22-14-13-21(15-23(22)35-27)29-24(31)20-11-9-18(16-28)10-12-20/h4-15H,3,17H2,1-2H3,(H,29,31)