[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]-2-keto-ethyl] ester Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=O)N(C(=O)N2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=O)N(C(=O)N2C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O7/c1-9-6-10(4-5-11(9)20(25)26)15(23)27-8-13(21)17-12-7-14(22)19(3)16(24)18(12)2/h4-7H,8H2,1-3H3,(H,17,21)