3-nitro-4-(pyrimidin-2-ylamino)chromen-2-one

Systemtic Name: 3-nitro-4-(pyrimidin-2-ylamino)chromen-2-one Openeye Name: 3-nitro-4-(pyrimidin-2-ylamino)chromen-2-one CAS Name: 3-nitro-4-(2-pyrimidinylamino)-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(pyrimidin-2-ylamino)chromen-2-one Traditional Name: 3-nitro-4-(2-pyrimidylamino)coumarin Formula: C13H8N4O4 MolecularWeight: 284.22702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=NC=CC=N3

InChI

InChI=1S/C13H8N4O4/c18-12-11(17(19)20)10(16-13-14-6-3-7-15-13)8-4-1-2-5-9(8)21-12/h1-7H,(H,14,15,16)