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

Systemtic Name: ethyl 3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4/c1-3-23-14(20)9-5-4-6-10(7-9)18-13-11(19(21)22)12(15-2)16-8-17-13/h4-8H,3H2,1-2H3,(H2,15,16,17,18)