4-[[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-nitro-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-nitro-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-nitro-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-nitrophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-nitrophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-nitro-phenoxy]methyl]benzoic acid Formula: C23H16N4O7 MolecularWeight: 460.39574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O7/c28-21-17-3-1-2-4-18(17)25-23(31)26(21)24-12-15-7-10-20(19(11-15)27(32)33)34-13-14-5-8-16(9-6-14)22(29)30/h1-12H,13H2,(H,25,31)(H,29,30)