4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-N-methyl-2-nitro-aniline CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitroaniline IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitroaniline Traditional Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenyl]-methyl-amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c1-17-12-8-6-11(10-14(12)19(20)21)7-9-16-18-13-4-2-3-5-15(13)22-16/h2-10,17H,1H3/b9-7+