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

Systemtic Name: methyl 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-13(2)19-21-14(3)11-18(22-19)24-9-7-23(8-10-24)17-6-5-15(25(27)28)12-16(17)20(26)29-4/h5-6,11-13H,7-10H2,1-4H3