N-[(Z)-[3-(2-methylpropoxy)-3-phenyl-butan-2-ylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-[3-(2-methylpropoxy)-3-phenyl-butan-2-ylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-(2-isobutoxy-1-methyl-2-phenyl-propylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(Z)-[3-(2-methylpropoxy)-3-phenylbutan-2-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-[3-(2-methylpropoxy)-3-phenylbutan-2-ylidene]amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(Z)-(2-isobutoxy-1-methyl-2-phenyl-propylidene)amino]amine Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(C)(C1=CC=CC=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC(C)COC(C)(C1=CC=CC=C1)/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C20H24N4O5/c1-14(2)13-29-20(4,16-8-6-5-7-9-16)15(3)21-22-18-11-10-17(23(25)26)12-19(18)24(27)28/h5-12,14,22H,13H2,1-4H3/b21-15-