2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-2-cyano-3-phenyl-propanoic acid

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-2-cyano-3-phenyl-propanoic acid Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-3-phenyl-propanoic acid CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-3-phenylpropanoic acid IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-3-phenylpropanoic acid Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-2-cyano-3-phenyl-propionic acid Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C#N)(C2=C(C(=O)N=C(N2)N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C#N)(C2=C(C(=O)N=C(N2)N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11N5O5/c15-7-14(12(21)22,6-8-4-2-1-3-5-8)10-9(19(23)24)11(20)18-13(16)17-10/h1-5H,6H2,(H,21,22)(H3,16,17,18,20)