4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-N-methyl-2-nitro-aniline Openeye Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-N-methyl-2-nitro-aniline CAS Name: 4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]-N-methyl-2-nitroaniline IUPAC Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-N-methyl-2-nitroaniline Traditional Name: [4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-nitro-phenyl]-methyl-amine Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=CC2=NC3=C(S2)C=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C/C2=NC3=C(S2)C=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O2S/c1-21-16-9-6-13(12-17(16)23(24)25)7-11-19-22-20-15-5-3-2-4-14(15)8-10-18(20)26-19/h2-12,21H,1H3/b11-7+