N-[(Z)-1,4-diphenylbut-3-yn-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-1,4-diphenylbut-3-yn-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-(1-benzyl-3-phenyl-prop-2-ynylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(Z)-1,4-diphenylbut-3-yn-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-1,4-diphenylbut-3-yn-2-ylideneamino]-2,4-dinitroaniline Traditional Name: [(Z)-(1-benzyl-3-phenyl-prop-2-ynylidene)amino]-(2,4-dinitrophenyl)amine Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4/c27-25(28)20-13-14-21(22(16-20)26(29)30)24-23-19(15-18-9-5-2-6-10-18)12-11-17-7-3-1-4-8-17/h1-10,13-14,16,24H,15H2/b23-19+