N-[(E)-[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]amino]amine Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C1)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C1)C(C)C

InChI

InChI=1S/C16H22N4O4/c1-10(2)13-6-4-11(3)8-15(13)18-17-14-7-5-12(19(21)22)9-16(14)20(23)24/h5,7,9-11,13,17H,4,6,8H2,1-3H3/b18-15+/t11-,13+/m1/s1