dimethyl 5-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3)C(=O)OC

InChI

InChI=1S/C18H19N5O6/c1-28-17(24)11-7-12(18(25)29-2)9-13(8-11)21-15-14(23(26)27)16(20-10-19-15)22-5-3-4-6-22/h7-10H,3-6H2,1-2H3,(H,19,20,21)