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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

InChI

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