1,3-dimethyl-5-nitro-6-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-nitro-6-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-nitro-6-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-nitro-6-[(E)-2-(1-pyrrolidin-1-iumyl)ethenyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-nitro-6-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-nitro-6-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]pyrimidine-2,4-quinone Formula: C12H17N4O4+ MolecularWeight: 281.28778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])C=C[NH+]2CCCC2

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/[NH+]2CCCC2

InChI

InChI=1S/C12H16N4O4/c1-13-9(5-8-15-6-3-4-7-15)10(16(19)20)11(17)14(2)12(13)18/h5,8H,3-4,6-7H2,1-2H3/p+1/b8-5+