methyl 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H25N5O5/c1-13(2)19-22-14(3)9-18(23-19)24-5-7-25(8-6-24)20(27)15-10-16(21(28)31-4)12-17(11-15)26(29)30/h9-13H,5-8H2,1-4H3