ethyl 4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(6-cumidino-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-4-31-22(28)16-7-11-18(12-8-16)26-21-19(27(29)30)20(23-13-24-21)25-17-9-5-15(6-10-17)14(2)3/h5-14H,4H2,1-3H3,(H2,23,24,25,26)