N-[azanyl(phenylazanyl)methylidene]-5-nitro-quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-5-nitro-quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-5-nitro-quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-5-nitro-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-5-nitroquinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-5-nitro-cinchoninamide Formula: C17H13N5O3 MolecularWeight: 335.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC(=O)C2=C3C(=NC=C2)C=CC=C3[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC(=O)C2=C3C(=NC=C2)C=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C17H13N5O3/c18-17(20-11-5-2-1-3-6-11)21-16(23)12-9-10-19-13-7-4-8-14(15(12)13)22(24)25/h1-10H,(H3,18,20,21,23)