ethyl 3-[(4-chloranyl-3-nitro-phenyl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: ethyl 3-[(4-chloro-3-nitro-phenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methylamino]-3-thiophen-2-ylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrophenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)amino]-3-(2-thienyl)propionic acid ethyl ester Formula: C16H17ClN2O4S MolecularWeight: 368.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CS1)NCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1=CC=CS1)NCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN2O4S/c1-2-23-16(20)9-13(15-4-3-7-24-15)18-10-11-5-6-12(17)14(8-11)19(21)22/h3-8,13,18H,2,9-10H2,1H3