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

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-methoxy-6-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenoxy]acetic acid CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitrophenoxy]acetic acid Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenoxy]acetic acid Formula: C18H14N4O8 MolecularWeight: 414.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

COC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H14N4O8/c1-29-14-7-10(6-13(22(27)28)16(14)30-9-15(23)24)8-19-21-17(25)11-4-2-3-5-12(11)20-18(21)26/h2-8H,9H2,1H3,(H,20,26)(H,23,24)