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

Systemtic Name: 2-[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H17N5O7 MolecularWeight: 415.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H17N5O7/c1-3-6-21-14(19)13(17(27)20(2)18(21)28)12(24)8-22-15(25)10-5-4-9(23(29)30)7-11(10)16(22)26/h4-5,7H,3,6,8,19H2,1-2H3