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2,4-dinitro-N-[(E)-[2-(2-phenylethynyl)cyclohexen-1-yl]methylideneamino]aniline

2,4-dinitro-N-[(E)-[2-(2-phenylethynyl)cyclohexen-1-yl]methylideneamino]aniline

Systemtic Name:2,4-dinitro-N-[(E)-[2-(2-phenylethynyl)cyclohexen-1-yl]methylideneamino]aniline
Openeye Name:2,4-dinitro-N-[(E)-[2-(2-phenylethynyl)cyclohexen-1-yl]methyleneamino]aniline
CAS Name:2,4-dinitro-N-[(E)-[2-(2-phenylethynyl)-1-cyclohexenyl]methylideneamino]aniline
IUPAC Name:2,4-dinitro-N-[(E)-[2-(2-phenylethynyl)cyclohexen-1-yl]methylideneamino]aniline
Traditional Name:(2,4-dinitrophenyl)-[(E)-[2-(2-phenylethynyl)cyclohexen-1-yl]methyleneamino]amine
Formula: C21H18N4O4
MolecularWeight: 390.39202
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C#CC3=CC=CC=C3


Isomeric SMILES

C1CCC(=C(C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C#CC3=CC=CC=C3


InChI

InChI=1S/C21H18N4O4/c26-24(27)19-12-13-20(21(14-19)25(28)29)23-22-15-18-9-5-4-8-17(18)11-10-16-6-2-1-3-7-16/h1-3,6-7,12-15,23H,4-5,8-9H2/b22-15+


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