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

Systemtic Name: N-[(E)-4-(5-methyl-3-phenyl-1-benzofuran-2-yl)butan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-methyl-3-(5-methyl-3-phenyl-benzofuran-2-yl)propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-4-(5-methyl-3-phenyl-2-benzofuranyl)butan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-4-(5-methyl-3-phenyl-1-benzofuran-2-yl)butan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[1-methyl-3-(5-methyl-3-phenyl-benzofuran-2-yl)propylidene]amino]amine Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)CCC(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)CC/C(=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

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