methyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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