2-[[(5aS)-11-oxidanylidene-5,5a-dihydropyrido[2,1-b]quinazolin-7-yl]amino]benzoate

Systemtic Name: 2-[[(5aS)-11-oxidanylidene-5,5a-dihydropyrido[2,1-b]quinazolin-7-yl]amino]benzoate Openeye Name: 2-[[(5aS)-11-oxo-5,5a-dihydropyrido[2,1-b]quinazolin-7-yl]amino]benzoate CAS Name: 2-[[(5aS)-11-oxo-5,5a-dihydropyrido[2,1-b]quinazolin-7-yl]amino]benzoate IUPAC Name: 2-[[(5aS)-11-oxo-5,5a-dihydropyrido[2,1-b]quinazolin-7-yl]amino]benzoate Traditional Name: 2-[[(5aS)-11-keto-5,5a-dihydropyrido[2,1-b]quinazolin-7-yl]amino]benzoate Formula: C19H14N3O3- MolecularWeight: 332.33276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N3C=CC(=CC3N2)NC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N3C=CC(=C[C@H]3N2)NC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C19H15N3O3/c23-18-13-5-1-3-7-15(13)21-17-11-12(9-10-22(17)18)20-16-8-4-2-6-14(16)19(24)25/h1-11,17,20-21H,(H,24,25)/p-1/t17-/m0/s1