2-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid

Systemtic Name: 2-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid Openeye Name: 2-(2-amino-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid CAS Name: 2-[(2-amino-5-nitro-4-pyrimidinyl)oxy]-4-cyanobenzoic acid IUPAC Name: 2-(2-amino-5-nitropyrimidin-4-yl)oxy-4-cyanobenzoic acid Traditional Name: 2-(2-amino-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid Formula: C12H7N5O5 MolecularWeight: 301.21448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)OC2=NC(=NC=C2[N+](=O)[O-])N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)OC2=NC(=NC=C2[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C12H7N5O5/c13-4-6-1-2-7(11(18)19)9(3-6)22-10-8(17(20)21)5-15-12(14)16-10/h1-3,5H,(H,18,19)(H2,14,15,16)