N-[(E)-(3,3-dimethyl-4-phenyl-butylidene)amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(3,3-dimethyl-4-phenyl-butylidene)amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3,3-dimethyl-4-phenyl-butylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline Traditional Name: [(E)-(3,3-dimethyl-4-phenyl-butylidene)amino]-(2,4-dinitrophenyl)amine Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H20N4O4/c1-18(2,13-14-6-4-3-5-7-14)10-11-19-20-16-9-8-15(21(23)24)12-17(16)22(25)26/h3-9,11-12,20H,10,13H2,1-2H3/b19-11+