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

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O7/c1-13-10-15(8-9-16(13)26(31)32)21(29)33-12-17(27)18-19(23)25(22(30)24(2)20(18)28)11-14-6-4-3-5-7-14/h3-10H,11-12,23H2,1-2H3