methyl 2-(5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-3-yl)ethanoate

Systemtic Name: methyl 2-(5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-3-yl)ethanoate Openeye Name: methyl 2-(5-methyl-4-oxo-pyrimido[5,4-b]indol-3-yl)acetate CAS Name: 2-(5-methyl-4-oxo-3-pyrimido[5,4-b]indolyl)acetic acid methyl ester IUPAC Name: methyl 2-(5-methyl-4-oxopyrimido[5,4-b]indol-3-yl)acetate Traditional Name: 2-(4-keto-5-methyl-pyrimid[5,4-b]indol-3-yl)acetic acid methyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CC(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CC(=O)OC

InChI

InChI=1S/C14H13N3O3/c1-16-10-6-4-3-5-9(10)12-13(16)14(19)17(8-15-12)7-11(18)20-2/h3-6,8H,7H2,1-2H3