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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC=C

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC=C

InChI

InChI=1S/C16H17N5O4/c1-4-9-17-14-13(21(23)24)15(19-10-18-14)20(2)12-8-6-5-7-11(12)16(22)25-3/h4-8,10H,1,9H2,2-3H3,(H,17,18,19)