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

Systemtic Name: methyl 4-[[6-[(4-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(4-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-acetylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c1-12(26)13-3-7-15(8-4-13)23-18-17(25(28)29)19(22-11-21-18)24-16-9-5-14(6-10-16)20(27)30-2/h3-11H,1-2H3,(H2,21,22,23,24)