2,4-dinitro-N-[(E)-4-phenylmethoxybut-2-ynylideneamino]aniline

Systemtic Name: 2,4-dinitro-N-[(E)-4-phenylmethoxybut-2-ynylideneamino]aniline Openeye Name: N-[(E)-4-benzyloxybut-2-ynylideneamino]-2,4-dinitro-aniline CAS Name: 2,4-dinitro-N-[(E)-4-phenylmethoxybut-2-ynylideneamino]aniline IUPAC Name: 2,4-dinitro-N-[(E)-4-phenylmethoxybut-2-ynylideneamino]aniline Traditional Name: [(E)-4-benzoxybut-2-ynylideneamino]-(2,4-dinitrophenyl)amine Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5/c22-20(23)15-8-9-16(17(12-15)21(24)25)19-18-10-4-5-11-26-13-14-6-2-1-3-7-14/h1-3,6-10,12,19H,11,13H2/b18-10+