2-[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-6-nitro-phenoxy]propanoic acid

Systemtic Name: 2-[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]propanoic acid CAS Name: 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]propanoic acid Traditional Name: 2-[2-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]propionic acid Formula: C18H14N4O7 MolecularWeight: 398.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=CC=C1[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C(=O)O)OC1=C(C=CC=C1[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H14N4O7/c1-10(17(24)25)29-15-11(5-4-8-14(15)22(27)28)9-19-21-16(23)12-6-2-3-7-13(12)20-18(21)26/h2-10H,1H3,(H,20,26)(H,24,25)