ethyl 2,4-dimethyl-5-[2-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC3=C(C=C2)OC(C(=O)N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC3=C(C=C2)OC(C(=O)N3)C)C

InChI

InChI=1S/C21H25N3O5/c1-6-28-21(27)17-10(2)18(23-11(17)3)19(25)12(4)22-14-7-8-16-15(9-14)24-20(26)13(5)29-16/h7-9,12-13,22-23H,6H2,1-5H3,(H,24,26)