[4-dodecyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6-nitro-cyclohexa-1,5-dien-1-yl]-methyl-phenylimino-azanium

Systemtic Name: [4-dodecyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6-nitro-cyclohexa-1,5-dien-1-yl]-methyl-phenylimino-azanium Openeye Name: [4-[2-(tert-butoxycarbonylamino)propyl]-4-dodecyl-6-nitro-cyclohexa-1,5-dien-1-yl]-methyl-phenylimino-ammonium CAS Name: [4-dodecyl-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-6-nitro-1-cyclohexa-1,5-dienyl]-methyl-phenyliminoammonium IUPAC Name: [4-dodecyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6-nitrocyclohexa-1,5-dien-1-yl]-methyl-phenyliminoazanium Traditional Name: [4-[2-(tert-butoxycarbonylamino)propyl]-4-lauryl-6-nitro-cyclohexa-1,5-dien-1-yl]-methyl-phenylimino-ammonium Formula: C33H53N4O4+ MolecularWeight: 569.79832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(CC=C(C(=C1)[N+](=O)[O-])[N+](=NC2=CC=CC=C2)C)CC(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1(CC=C(C(=C1)[N+](=O)[O-])[N+](=NC2=CC=CC=C2)C)CC(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H52N4O4/c1-7-8-9-10-11-12-13-14-15-19-23-33(25-27(2)34-31(38)41-32(3,4)5)24-22-29(30(26-33)37(39)40)36(6)35-28-20-17-16-18-21-28/h16-18,20-22,26-27H,7-15,19,23-25H2,1-6H3/p+1