N-[(E)-(3-butyl-2-phenyl-inden-1-ylidene)amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(3-butyl-2-phenyl-inden-1-ylidene)amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3-butyl-2-phenyl-inden-1-ylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3-butyl-2-phenyl-1-indenylidene)amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-butyl-2-phenylinden-1-ylidene)amino]-2,4-dinitroaniline Traditional Name: [(E)-(3-butyl-2-phenyl-inden-1-ylidene)amino]-(2,4-dinitrophenyl)amine Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c1-2-3-11-20-19-12-7-8-13-21(19)25(24(20)17-9-5-4-6-10-17)27-26-22-15-14-18(28(30)31)16-23(22)29(32)33/h4-10,12-16,26H,2-3,11H2,1H3/b27-25+