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

Systemtic Name: N-[(E)-4-[3-(4-methylphenyl)-1-benzofuran-2-yl]butan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-methyl-3-[3-(p-tolyl)benzofuran-2-yl]propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-4-[3-(4-methylphenyl)-2-benzofuranyl]butan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-4-[3-(4-methylphenyl)-1-benzofuran-2-yl]butan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[1-methyl-3-[3-(p-tolyl)benzofuran-2-yl]propylidene]amino]amine Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC3=CC=CC=C32)CCC(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC3=CC=CC=C32)CC/C(=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C25H22N4O5/c1-16-7-10-18(11-8-16)25-20-5-3-4-6-23(20)34-24(25)14-9-17(2)26-27-21-13-12-19(28(30)31)15-22(21)29(32)33/h3-8,10-13,15,27H,9,14H2,1-2H3/b26-17+