6-nitro-4-[[4-(phenylcarbamoyl)phenyl]amino]cinnoline-3-carboxamide

Systemtic Name: 6-nitro-4-[[4-(phenylcarbamoyl)phenyl]amino]cinnoline-3-carboxamide Openeye Name: 6-nitro-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide CAS Name: 4-[4-[anilino(oxo)methyl]anilino]-6-nitro-3-cinnolinecarboxamide IUPAC Name: 6-nitro-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide Traditional Name: 6-nitro-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide Formula: C22H16N6O4 MolecularWeight: 428.40024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(N=NC4=C3C=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(N=NC4=C3C=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C22H16N6O4/c23-21(29)20-19(17-12-16(28(31)32)10-11-18(17)26-27-20)24-15-8-6-13(7-9-15)22(30)25-14-4-2-1-3-5-14/h1-12H,(H2,23,29)(H,24,26)(H,25,30)