tert-butyl 1-azanyl-1-[2-[ethyl-(3-nitrophenyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: tert-butyl 1-azanyl-1-[2-[ethyl-(3-nitrophenyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate Openeye Name: tert-butyl 1-amino-1-[2-(N-ethyl-3-nitro-anilino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-amino-1-[2-(N-ethyl-3-nitroanilino)-4-pyrimidinyl]-5-benzimidazol-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-amino-1-[2-(N-ethyl-3-nitroanilino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-amino-1-[2-(N-ethyl-3-nitro-anilino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylic acid tert-butyl ester Formula: C24H26N7O4+ MolecularWeight: 476.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC=C1)[N+](=O)[O-])C2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCN(C1=CC(=CC=C1)[N+](=O)[O-])C2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C24H26N7O4/c1-5-29(17-7-6-8-18(14-17)30(33)34)23-26-12-11-21(28-23)31(25)15-27-19-13-16(9-10-20(19)31)22(32)35-24(2,3)4/h6-15H,5,25H2,1-4H3/q+1