ethyl 3-(2-aminophenyl)imino-2-(3-methyl-2-oxidanylidene-4H-1,3-benzoxazin-4-yl)butanoate

Systemtic Name: ethyl 3-(2-aminophenyl)imino-2-(3-methyl-2-oxidanylidene-4H-1,3-benzoxazin-4-yl)butanoate Openeye Name: ethyl 3-(2-aminophenyl)imino-2-(3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)butanoate CAS Name: 3-(2-aminophenyl)imino-2-(3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl 3-(2-aminophenyl)imino-2-(3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)butanoate Traditional Name: 3-(2-aminophenyl)imino-2-(2-keto-3-methyl-4H-1,3-benzoxazin-4-yl)butyric acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2OC(=O)N1C)C(=NC3=CC=CC=C3N)C

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2OC(=O)N1C)C(=NC3=CC=CC=C3N)C

InChI

InChI=1S/C21H23N3O4/c1-4-27-20(25)18(13(2)23-16-11-7-6-10-15(16)22)19-14-9-5-8-12-17(14)28-21(26)24(19)3/h5-12,18-19H,4,22H2,1-3H3