N-[4-azanyl-1,4-bis(oxidanylidene)-1-(2-pyridin-4-ylcarbonylhydrazinyl)butan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-azanyl-1,4-bis(oxidanylidene)-1-(2-pyridin-4-ylcarbonylhydrazinyl)butan-2-yl]-4-nitro-benzamide Openeye Name: N-[3-amino-3-oxo-1-[(pyridine-4-carbonylamino)carbamoyl]propyl]-4-nitro-benzamide CAS Name: N-[4-amino-1,4-dioxo-1-[[oxo(pyridin-4-yl)methyl]hydrazo]butan-2-yl]-4-nitrobenzamide IUPAC Name: N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]-4-nitrobenzamide Traditional Name: N-[3-amino-1-(isonicotinamidocarbamoyl)-3-keto-propyl]-4-nitro-benzamide Formula: C17H16N6O6 MolecularWeight: 400.34554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(=O)N)C(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC(=O)N)C(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O6/c18-14(24)9-13(17(27)22-21-16(26)11-5-7-19-8-6-11)20-15(25)10-1-3-12(4-2-10)23(28)29/h1-8,13H,9H2,(H2,18,24)(H,20,25)(H,21,26)(H,22,27)