2-chloranyl-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(3-ethynylanilino)-2-oxo-ethyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(3-ethynylanilino)-2-keto-ethyl]-5-nitro-benzamide Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4/c1-2-11-4-3-5-12(8-11)20-16(22)10-19-17(23)14-9-13(21(24)25)6-7-15(14)18/h1,3-9H,10H2,(H,19,23)(H,20,22)