N-[(E)-6-(2,6-dimethylphenoxy)-1-phenyl-hex-1-en-4-yn-3-yl]-3-nitro-aniline

Systemtic Name: N-[(E)-6-(2,6-dimethylphenoxy)-1-phenyl-hex-1-en-4-yn-3-yl]-3-nitro-aniline Openeye Name: N-[4-(2,6-dimethylphenoxy)-1-[(E)-styryl]but-2-ynyl]-3-nitro-aniline CAS Name: N-[(E)-6-(2,6-dimethylphenoxy)-1-phenylhex-1-en-4-yn-3-yl]-3-nitroaniline IUPAC Name: N-[(E)-6-(2,6-dimethylphenoxy)-1-phenylhex-1-en-4-yn-3-yl]-3-nitroaniline Traditional Name: [4-(2,6-dimethylphenoxy)-1-[(E)-styryl]but-2-ynyl]-(3-nitrophenyl)amine Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC#CC(C=CC2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC#CC(/C=C/C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O3/c1-20-9-6-10-21(2)26(20)31-18-8-14-23(17-16-22-11-4-3-5-12-22)27-24-13-7-15-25(19-24)28(29)30/h3-7,9-13,15-17,19,23,27H,18H2,1-2H3/b17-16+