[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(3-nitrophenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(3-nitrophenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3-nitrophenyl)propanoate CAS Name: 3-amino-3-(3-nitrophenyl)propanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3-nitrophenyl)propanoate Traditional Name: 3-amino-3-(3-nitrophenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C26H22N6O5 MolecularWeight: 498.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C26H22N6O5/c27-20(18-9-6-10-19(15-18)32(35)36)16-25(33)37-23-12-5-4-11-22(23)28-26(34)29-24-14-13-21(30-31-24)17-7-2-1-3-8-17/h1-15,20H,16,27H2,(H2,28,29,31,34)