N-[(E)-5-methoxypent-3-yn-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-5-methoxypent-3-yn-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(4-methoxy-1-methyl-but-2-ynylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-5-methoxypent-3-yn-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-5-methoxypent-3-yn-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(4-methoxy-1-methyl-but-2-ynylidene)amino]amine Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C#CCOC

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C#CCOC

InChI

InChI=1S/C12H12N4O5/c1-9(4-3-7-21-2)13-14-11-6-5-10(15(17)18)8-12(11)16(19)20/h5-6,8,14H,7H2,1-2H3/b13-9+