methyl 4-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-3-4-5-15-6-10-17(11-7-15)25-20-19(26(28)29)21(24-14-23-20)31-18-12-8-16(9-13-18)22(27)30-2/h6-14H,3-5H2,1-2H3,(H,23,24,25)