N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-methyl-5-nitro-pyridine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-methyl-5-nitro-pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-methyl-5-nitro-pyridine-3-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-2-methyl-5-nitro-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-methyl-5-nitropyridine-3-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-2-methyl-5-nitro-nicotinamide Formula: C17H16ClN5O4 MolecularWeight: 389.79304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O4/c1-10-13(7-12(8-20-10)23(26)27)17(25)21-11-2-3-15(14(18)6-11)22-5-4-19-16(24)9-22/h2-3,6-8H,4-5,9H2,1H3,(H,19,24)(H,21,25)