[2-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [2-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] ester Formula: C24H23N4O4+ MolecularWeight: 431.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4/c29-24(18-5-9-22(10-6-18)28(30)31)32-23-4-2-1-3-19(23)17-26-20-7-11-21(12-8-20)27-15-13-25-14-16-27/h1-12,17,25H,13-16H2/p+1