2-[6-azanyl-2-[3-[bis(azanyl)methylideneamino]phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid

Systemtic Name: 2-[6-azanyl-2-[3-[bis(azanyl)methylideneamino]phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid Openeye Name: 2-[6-amino-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid CAS Name: 2-[[6-amino-2-[3-(diaminomethylideneamino)phenoxy]-5-nitro-4-pyrimidinyl]oxy]-4-cyanobenzoic acid IUPAC Name: 2-[6-amino-2-[3-(diaminomethylideneamino)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-cyanobenzoic acid Traditional Name: 2-[6-amino-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid Formula: C19H14N8O6 MolecularWeight: 450.36446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C(=O)O)[N+](=O)[O-])N)N=C(N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C(=O)O)[N+](=O)[O-])N)N=C(N)N

InChI

InChI=1S/C19H14N8O6/c20-8-9-4-5-12(17(28)29)13(6-9)33-16-14(27(30)31)15(21)25-19(26-16)32-11-3-1-2-10(7-11)24-18(22)23/h1-7H,(H,28,29)(H2,21,25,26)(H4,22,23,24)