ethyl 4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-3-9-17-14-13(21(23)24)15(19-10-18-14)20-12-7-5-11(6-8-12)16(22)25-4-2/h3,5-8,10H,1,4,9H2,2H3,(H2,17,18,19,20)