N-methyl-N-[(5-nitro-1-benzothiophen-2-yl)methyl]-2-(4-nitrophenyl)ethanamine

Systemtic Name: N-methyl-N-[(5-nitro-1-benzothiophen-2-yl)methyl]-2-(4-nitrophenyl)ethanamine Openeye Name: N-methyl-N-[(5-nitrobenzothiophen-2-yl)methyl]-2-(4-nitrophenyl)ethanamine CAS Name: N-methyl-N-[(5-nitro-1-benzothiophen-2-yl)methyl]-2-(4-nitrophenyl)ethanamine IUPAC Name: N-methyl-N-[(5-nitro-1-benzothiophen-2-yl)methyl]-2-(4-nitrophenyl)ethanamine Traditional Name: methyl-[(5-nitrobenzothiophen-2-yl)methyl]-[2-(4-nitrophenyl)ethyl]amine Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-19(9-8-13-2-4-15(5-3-13)20(22)23)12-17-11-14-10-16(21(24)25)6-7-18(14)26-17/h2-7,10-11H,8-9,12H2,1H3