4-[[8-[(4-nitrophenyl)amino]-8-oxidanylidene-octanoyl]amino]benzoic acid

Systemtic Name: 4-[[8-[(4-nitrophenyl)amino]-8-oxidanylidene-octanoyl]amino]benzoic acid Openeye Name: 4-[[8-(4-nitroanilino)-8-oxo-octanoyl]amino]benzoic acid CAS Name: 4-[[8-(4-nitroanilino)-1,8-dioxooctyl]amino]benzoic acid IUPAC Name: 4-[[8-(4-nitroanilino)-8-oxooctanoyl]amino]benzoic acid Traditional Name: 4-[[8-keto-8-(4-nitroanilino)octanoyl]amino]benzoic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCCCCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCCCCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c25-19(22-16-9-7-15(8-10-16)21(27)28)5-3-1-2-4-6-20(26)23-17-11-13-18(14-12-17)24(29)30/h7-14H,1-6H2,(H,22,25)(H,23,26)(H,27,28)