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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6/c1-16-9(6-12(19)17(2)14(16)21)7-24-13(20)8-3-4-10(15)11(5-8)18(22)23/h3-6H,7,15H2,1-2H3