ethyl 3-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-2-26-17(23)12-6-5-7-13(10-12)20-15-14(22(24)25)16(19-11-18-15)21-8-3-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,19,20)