propan-2-yl 4-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: isopropyl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(3-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(m-anisidino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid isopropyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC(C)C)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC(C)C)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-13(2)32-21(28)15-8-10-16(11-9-15)25-22-23-14(3)19(27(29)30)20(26-22)24-17-6-5-7-18(12-17)31-4/h5-13H,1-4H3,(H2,23,24,25,26)