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

Systemtic Name: ethyl 3-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4/c1-3-5-7-16-10-12-18(13-11-16)26-21-20(28(30)31)22(25-15-24-21)27-19-9-6-8-17(14-19)23(29)32-4-2/h6,8-15H,3-5,7H2,1-2H3,(H2,24,25,26,27)