tert-butyl 2-cyano-5-(4-ethyl-4-methyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(4-ethyl-4-methyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(4-ethyl-4-methyl-2-oxo-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(4-ethyl-4-methyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(4-ethyl-4-methyl-2-oxo-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(4-ethyl-2-keto-4-methyl-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)O1)C

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)O1)C

InChI

InChI=1S/C21H23N3O4/c1-6-21(5)15-11-13(7-9-16(15)23-18(25)27-21)17-10-8-14(12-22)24(17)19(26)28-20(2,3)4/h7-11H,6H2,1-5H3,(H,23,25)