2-chloranyl-5-[(2E)-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(2E)-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]hydrazinyl]benzoic acid Openeye Name: 2-chloro-5-[(2E)-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]hydrazino]benzoic acid CAS Name: 2-chloro-5-[(2E)-2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]hydrazinyl]benzoic acid IUPAC Name: 2-chloro-5-[(2E)-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid Traditional Name: 2-chloro-5-[(N'E)-N'-(3-nitro-4-pyrrolidino-benzylidene)hydrazino]benzoic acid Formula: C18H17ClN4O4 MolecularWeight: 388.80498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=N/NC3=CC(=C(C=C3)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O4/c19-15-5-4-13(10-14(15)18(24)25)21-20-11-12-3-6-16(17(9-12)23(26)27)22-7-1-2-8-22/h3-6,9-11,21H,1-2,7-8H2,(H,24,25)/b20-11+