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

Systemtic Name: methyl 4-[[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3-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(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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