ethyl 3-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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(=CC=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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