N-(3-nitrophenyl)-2-[4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(3-nitroanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[2-(3-nitroanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-[2-keto-2-(3-nitroanilino)ethyl]piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C20H23N6O6+ MolecularWeight: 443.43322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O6/c27-19(21-15-3-1-5-17(11-15)25(29)30)13-23-7-9-24(10-8-23)14-20(28)22-16-4-2-6-18(12-16)26(31)32/h1-6,11-12H,7-10,13-14H2,(H,21,27)(H,22,28)/p+1