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

Systemtic Name: 2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H13N5O7 MolecularWeight: 399.31442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C17H13N5O7/c18-13-12(14(24)19-17(27)21(13)7-1-2-7)11(23)6-20-15(25)9-4-3-8(22(28)29)5-10(9)16(20)26/h3-5,7H,1-2,6,18H2,(H,19,24,27)