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

Systemtic Name: ethyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(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=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

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

InChI

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