4-[(E)-3-oxidanylidene-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-oxidanylidene-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-oxo-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-(2-pyrimidinylamino)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-oxo-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(2-pyrimidylamino)prop-1-enyl]benzoate Formula: C14H10N3O3- MolecularWeight: 268.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)C=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3/c18-12(17-14-15-8-1-9-16-14)7-4-10-2-5-11(6-3-10)13(19)20/h1-9H,(H,19,20)(H,15,16,17,18)/p-1/b7-4+