[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N

InChI

InChI=1S/C19H22N4O7/c1-10(2)8-22-16(20)15(17(25)21(4)19(22)27)14(24)9-30-18(26)12-6-5-7-13(11(12)3)23(28)29/h5-7,10H,8-9,20H2,1-4H3