4-[6-nitro-2,4-bis(oxidanylidene)-1-(2-pyridin-2-ylethyl)quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[6-nitro-2,4-bis(oxidanylidene)-1-(2-pyridin-2-ylethyl)quinazolin-3-yl]benzoic acid Openeye Name: 4-[6-nitro-2,4-dioxo-1-[2-(2-pyridyl)ethyl]quinazolin-3-yl]benzoic acid CAS Name: 4-[6-nitro-2,4-dioxo-1-[2-(2-pyridinyl)ethyl]-3-quinazolinyl]benzoic acid IUPAC Name: 4-[6-nitro-2,4-dioxo-1-(2-pyridin-2-ylethyl)quinazolin-3-yl]benzoic acid Traditional Name: 4-[2,4-diketo-6-nitro-1-[2-(2-pyridyl)ethyl]quinazolin-3-yl]benzoic acid Formula: C22H16N4O6 MolecularWeight: 432.38564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N4O6/c27-20-18-13-17(26(31)32)8-9-19(18)24(12-10-15-3-1-2-11-23-15)22(30)25(20)16-6-4-14(5-7-16)21(28)29/h1-9,11,13H,10,12H2,(H,28,29)