N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-nitro-aniline

Systemtic Name: N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-nitro-aniline Openeye Name: N-(benzothiophen-3-ylmethyl)-4-methoxy-2-nitro-aniline CAS Name: N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-nitroaniline IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-nitroaniline Traditional Name: benzothiophen-3-ylmethyl-(4-methoxy-2-nitro-phenyl)amine Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NCC2=CSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NCC2=CSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c1-21-12-6-7-14(15(8-12)18(19)20)17-9-11-10-22-16-5-3-2-4-13(11)16/h2-8,10,17H,9H2,1H3