ethyl 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-methoxyethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(2-methoxyethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O5/c1-3-26-16(22)11-4-6-12(7-5-11)20-15-13(21(23)24)14(18-10-19-15)17-8-9-25-2/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)