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

Systemtic Name: ethyl 3-[[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H19N5O5/c1-3-31-21(28)15-7-5-9-17(11-15)25-20-18(26(29)30)19(22-12-23-20)24-16-8-4-6-14(10-16)13(2)27/h4-12H,3H2,1-2H3,(H2,22,23,24,25)