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

Systemtic Name: methyl 4-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H16N4O8 MolecularWeight: 404.33094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8/c1-28-16(24)8-2-5-12(10(6-8)21(26)27)29-7-11(22)13-14(18)20(9-3-4-9)17(25)19-15(13)23/h2,5-6,9H,3-4,7,18H2,1H3,(H,19,23,25)