1-[[(E)-1-[[4-(2-methoxyethoxy)phenyl]methylamino]-2-nitro-ethenyl]amino]ethanethiol

Systemtic Name: 1-[[(E)-1-[[4-(2-methoxyethoxy)phenyl]methylamino]-2-nitro-ethenyl]amino]ethanethiol Openeye Name: 1-[[(E)-1-[[4-(2-methoxyethoxy)phenyl]methylamino]-2-nitro-vinyl]amino]ethanethiol CAS Name: 1-[[(E)-1-[[4-(2-methoxyethoxy)phenyl]methylamino]-2-nitroethenyl]amino]ethanethiol IUPAC Name: 1-[[(E)-1-[[4-(2-methoxyethoxy)phenyl]methylamino]-2-nitroethenyl]amino]ethanethiol Traditional Name: 1-[[(E)-1-[[4-(2-methoxyethoxy)benzyl]amino]-2-nitro-vinyl]amino]ethanethiol Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=C[N+](=O)[O-])NCC1=CC=C(C=C1)OCCOC)S

Isomeric SMILES

CC(N/C(=C/[N+](=O)[O-])/NCC1=CC=C(C=C1)OCCOC)S

InChI

InChI=1S/C14H21N3O4S/c1-11(22)16-14(10-17(18)19)15-9-12-3-5-13(6-4-12)21-8-7-20-2/h3-6,10-11,15-16,22H,7-9H2,1-2H3/b14-10+