methyl 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propanoate CAS Name: 3-[4-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]phenyl]propanoate Traditional Name: 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propionic acid methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)CCC(=O)OC

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)CCC(=O)OC

InChI

InChI=1S/C15H17N5O4/c1-16-14-12(20(22)23)9-17-15(19-14)18-11-6-3-10(4-7-11)5-8-13(21)24-2/h3-4,6-7,9H,5,8H2,1-2H3,(H2,16,17,18,19)