2-chloranyl-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 2-chloro-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 2-chloro-5-[[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 2-chloro-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 2-chloro-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methyleneamino]benzoic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H16ClN3O4/c1-12-9-14(11-22-15-3-8-19(21)18(10-15)20(25)26)13(2)23(12)16-4-6-17(7-5-16)24(27)28/h3-11H,1-2H3,(H,25,26)