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

Systemtic Name: ethyl 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5/c1-5-32-22(29)17-11-16(12-18(13-17)27(30)31)21(28)26-8-6-25(7-9-26)19-10-15(4)23-20(24-19)14(2)3/h10-14H,5-9H2,1-4H3