N-[(E)-[(1-bromanylcyclohexyl)-phenyl-methylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[(1-bromanylcyclohexyl)-phenyl-methylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[(1-bromocyclohexyl)-phenyl-methylene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[(1-bromocyclohexyl)-phenylmethylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[(1-bromocyclohexyl)-phenylmethylidene]amino]-2,4-dinitroaniline Traditional Name: [(E)-[(1-bromocyclohexyl)-phenyl-methylene]amino]-(2,4-dinitrophenyl)amine Formula: C19H19BrN4O4 MolecularWeight: 447.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)Br

Isomeric SMILES

C1CCC(CC1)(/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3)Br

InChI

InChI=1S/C19H19BrN4O4/c20-19(11-5-2-6-12-19)18(14-7-3-1-4-8-14)22-21-16-10-9-15(23(25)26)13-17(16)24(27)28/h1,3-4,7-10,13,21H,2,5-6,11-12H2/b22-18+