N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[[3-(cyclohexen-1-yl)-1-methyl-prop-2-ynylidene]amino]-2,4-dinitro-aniline CAS Name: N-[4-(1-cyclohexenyl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline Traditional Name: [[3-(cyclohexen-1-yl)-1-methyl-prop-2-ynylidene]amino]-(2,4-dinitrophenyl)amine Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C#CC2=CCCCC2

Isomeric SMILES

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C#CC2=CCCCC2

InChI

InChI=1S/C16H16N4O4/c1-12(7-8-13-5-3-2-4-6-13)17-18-15-10-9-14(19(21)22)11-16(15)20(23)24/h5,9-11,18H,2-4,6H2,1H3