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3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid

3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid

Systemtic Name:3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid
Openeye Name:3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid
CAS Name:3-nitro-5-[oxo-(2-pyrimidinylamino)methyl]benzoic acid
IUPAC Name:3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid
Traditional Name:3-nitro-5-(2-pyrimidylcarbamoyl)benzoic acid
Formula: C12H8N4O5
MolecularWeight: 288.21572
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CN=C(N=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C12H8N4O5/c17-10(15-12-13-2-1-3-14-12)7-4-8(11(18)19)6-9(5-7)16(20)21/h1-6H,(H,18,19)(H,13,14,15,17)


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