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

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]propanoic acid CAS Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]propanoic acid Traditional Name: 2-[2-bromo-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]propionic acid Formula: C18H13BrN4O7 MolecularWeight: 477.22242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1Br)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1Br)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O7/c1-9(17(25)26)30-15-12(19)6-10(7-14(15)23(28)29)8-20-22-16(24)11-4-2-3-5-13(11)21-18(22)27/h2-9H,1H3,(H,21,27)(H,25,26)