(E)-[(2,4-dinitrophenyl)amino]-methyl-[4-methyl-6-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylidene]azanium

Systemtic Name: (E)-[(2,4-dinitrophenyl)amino]-methyl-[4-methyl-6-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylidene]azanium Openeye Name: (E)-(2,4-dinitroanilino)-[6-(2-hydroxy-1-methyl-2-oxo-ethyl)-4-methyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylidene]-methyl-ammonium CAS Name: (E)-(2,4-dinitroanilino)-[6-(1-hydroxy-1-oxopropan-2-yl)-4-methyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylidene]-methylammonium IUPAC Name: (E)-(2,4-dinitroanilino)-[6-(1-hydroxy-1-oxopropan-2-yl)-4-methyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylidene]-methylazanium Traditional Name: (E)-(2,4-dinitroanilino)-[6-(2-hydroxy-2-keto-1-methyl-ethyl)-4-methyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-ylidene]-methyl-ammonium Formula: C21H27N4O6+ MolecularWeight: 431.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=[N+](C)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3C1=CC(CC3)C(C)C(=O)O

Isomeric SMILES

CC1CC/C(=[N+](/C)\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3C1=CC(CC3)C(C)C(=O)O

InChI

InChI=1S/C21H26N4O6/c1-12-4-9-19(16-7-5-14(10-17(12)16)13(2)21(26)27)23(3)22-18-8-6-15(24(28)29)11-20(18)25(30)31/h6,8,10-14,16,22H,4-5,7,9H2,1-3H3/p+1/b23-19+