ethyl 3-[2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)propanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)propanoylamino]benzoate Openeye Name: ethyl 3-[2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)propanoylamino]benzoate CAS Name: 3-[[2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanoylamino]benzoate Traditional Name: 3-[2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)propanoylamino]benzoic acid ethyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N2C3=CC=CC=C3C4=NC(=O)C=C(N42)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N2C3=CC=CC=C3C4=NC(=O)C=C(N42)C

InChI

InChI=1S/C23H22N4O4/c1-4-31-23(30)16-8-7-9-17(13-16)24-22(29)15(3)27-19-11-6-5-10-18(19)21-25-20(28)12-14(2)26(21)27/h5-13,15H,4H2,1-3H3,(H,24,29)