N-[(E)-4-[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]butan-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-4-[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]butan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-methyl-3-[5-methyl-3-(p-tolyl)benzofuran-2-yl]propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-4-[5-methyl-3-(4-methylphenyl)-2-benzofuranyl]butan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-4-[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]butan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[1-methyl-3-[5-methyl-3-(p-tolyl)benzofuran-2-yl]propylidene]amino]amine Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C)CCC(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C)CC/C(=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C26H24N4O5/c1-16-4-8-19(9-5-16)26-21-14-17(2)6-12-24(21)35-25(26)13-7-18(3)27-28-22-11-10-20(29(31)32)15-23(22)30(33)34/h4-6,8-12,14-15,28H,7,13H2,1-3H3/b27-18+