N-[(E)-5,5-bis(5-methylfuran-2-yl)pentan-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-5,5-bis(5-methylfuran-2-yl)pentan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-methyl-4,4-bis(5-methyl-2-furyl)butylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-5,5-bis(5-methyl-2-furanyl)pentan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-5,5-bis(5-methylfuran-2-yl)pentan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[1-methyl-4,4-bis(5-methyl-2-furyl)butylidene]amino]amine Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C3=CC=C(O3)C

Isomeric SMILES

CC1=CC=C(O1)C(CC/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C)C3=CC=C(O3)C

InChI

InChI=1S/C21H22N4O6/c1-13(22-23-18-9-7-16(24(26)27)12-19(18)25(28)29)4-8-17(20-10-5-14(2)30-20)21-11-6-15(3)31-21/h5-7,9-12,17,23H,4,8H2,1-3H3/b22-13+