N-[(E)-3-methylidenepentan-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-3-methylidenepentan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(1-methyl-2-methylene-butylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-3-methylenepentan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-3-methylidenepentan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(2-ethyl-1-methyl-prop-2-enylidene)amino]amine Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC(=C)/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C12H14N4O4/c1-4-8(2)9(3)13-14-11-6-5-10(15(17)18)7-12(11)16(19)20/h5-7,14H,2,4H2,1,3H3/b13-9+