4-[3-[2-(3-chloranyl-4-nitro-phenyl)carbonylhydrazinyl]but-3-enoylamino]benzamide

Systemtic Name: 4-[3-[2-(3-chloranyl-4-nitro-phenyl)carbonylhydrazinyl]but-3-enoylamino]benzamide Openeye Name: 4-[3-[2-(3-chloro-4-nitro-benzoyl)hydrazino]but-3-enoylamino]benzamide CAS Name: 4-[[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]hydrazo]-1-oxobut-3-enyl]amino]benzamide IUPAC Name: 4-[3-[2-(3-chloro-4-nitrobenzoyl)hydrazinyl]but-3-enoylamino]benzamide Traditional Name: 4-[3-[N'-(3-chloro-4-nitro-benzoyl)hydrazino]but-3-enoylamino]benzamide Formula: C18H16ClN5O5 MolecularWeight: 417.80314

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=O)NC1=CC=C(C=C1)C(=O)N)NNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C=C(CC(=O)NC1=CC=C(C=C1)C(=O)N)NNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN5O5/c1-10(8-16(25)21-13-5-2-11(3-6-13)17(20)26)22-23-18(27)12-4-7-15(24(28)29)14(19)9-12/h2-7,9,22H,1,8H2,(H2,20,26)(H,21,25)(H,23,27)