2-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H15N5O7 MolecularWeight: 401.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H15N5O7/c1-2-5-20-13(18)12(14(24)19-17(20)27)11(23)7-21-15(25)9-4-3-8(22(28)29)6-10(9)16(21)26/h3-4,6H,2,5,7,18H2,1H3,(H,19,24,27)