4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(2-pyridin-3-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(2-pyridin-3-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-methyl-1-[(pyridine-3-carbonylamino)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-methyl-1-oxo-1-[[oxo(3-pyridinyl)methyl]hydrazo]butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-methyl-1-(nicotinamidocarbamoyl)propyl]-3-nitro-benzamide Formula: C18H18ClN5O5 MolecularWeight: 419.81902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O5/c1-10(2)15(18(27)23-22-17(26)12-4-3-7-20-9-12)21-16(25)11-5-6-13(19)14(8-11)24(28)29/h3-10,15H,1-2H3,(H,21,25)(H,22,26)(H,23,27)