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

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-methoxy-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenoxy]propanoic acid CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitrophenoxy]propanoic acid Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenoxy]propionic acid Formula: C19H16N4O8 MolecularWeight: 428.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1OC)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1OC)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O8/c1-10(18(25)26)31-16-14(23(28)29)7-11(8-15(16)30-2)9-20-22-17(24)12-5-3-4-6-13(12)21-19(22)27/h3-10H,1-2H3,(H,21,27)(H,25,26)