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

Systemtic Name: methyl 2-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-3-8-16-13-12(20(22)23)14(18-9-17-13)19-11-7-5-4-6-10(11)15(21)24-2/h3-7,9H,1,8H2,2H3,(H2,16,17,18,19)