ethyl 3-[3-[[4-(furan-3-yl)-2-nitro-phenyl]amino]phenyl]-3-piperazin-1-yl-propanoate

Systemtic Name: ethyl 3-[3-[[4-(furan-3-yl)-2-nitro-phenyl]amino]phenyl]-3-piperazin-1-yl-propanoate Openeye Name: ethyl 3-[3-[4-(3-furyl)-2-nitro-anilino]phenyl]-3-piperazin-1-yl-propanoate CAS Name: 3-[3-[4-(3-furanyl)-2-nitroanilino]phenyl]-3-(1-piperazinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(furan-3-yl)-2-nitroanilino]phenyl]-3-piperazin-1-ylpropanoate Traditional Name: 3-[3-[4-(3-furyl)-2-nitro-anilino]phenyl]-3-piperazino-propionic acid ethyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)NC2=C(C=C(C=C2)C3=COC=C3)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)NC2=C(C=C(C=C2)C3=COC=C3)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C25H28N4O5/c1-2-34-25(30)16-23(28-11-9-26-10-12-28)19-4-3-5-21(14-19)27-22-7-6-18(15-24(22)29(31)32)20-8-13-33-17-20/h3-8,13-15,17,23,26-27H,2,9-12,16H2,1H3