ethyl (Z)-3-[(2-aminophenyl)amino]-2-(3-methyl-2-oxidanylidene-4H-1,3-benzoxazin-4-yl)but-2-enoate

Systemtic Name: ethyl (Z)-3-[(2-aminophenyl)amino]-2-(3-methyl-2-oxidanylidene-4H-1,3-benzoxazin-4-yl)but-2-enoate Openeye Name: ethyl (Z)-3-(2-aminoanilino)-2-(3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)but-2-enoate CAS Name: (Z)-3-(2-aminoanilino)-2-(3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(2-aminoanilino)-2-(3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)but-2-enoate Traditional Name: (Z)-3-(2-aminoanilino)-2-(2-keto-3-methyl-4H-1,3-benzoxazin-4-yl)but-2-enoic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=CC=CC=C1N)C2C3=CC=CC=C3OC(=O)N2C

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC1=CC=CC=C1N)/C2C3=CC=CC=C3OC(=O)N2C

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/h5-12,19,23H,4,22H2,1-3H3/b18-13-