O1-ethyl O4-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C16H16N2O5/c1-3-22-13(19)8-9-14(20)23-10(2)15-17-12-7-5-4-6-11(12)16(21)18-15/h4-10H,3H2,1-2H3,(H,17,18,21)/b9-8+/t10-/m1/s1