2-hexadecyl-3-[[(4-nitrophenyl)amino]methyl]naphthalene-1,4-dione

Systemtic Name: 2-hexadecyl-3-[[(4-nitrophenyl)amino]methyl]naphthalene-1,4-dione Openeye Name: 2-hexadecyl-3-[(4-nitroanilino)methyl]naphthalene-1,4-dione CAS Name: 2-hexadecyl-3-[(4-nitroanilino)methyl]naphthalene-1,4-dione IUPAC Name: 2-hexadecyl-3-[(4-nitroanilino)methyl]naphthalene-1,4-dione Traditional Name: 2-cetyl-3-[(4-nitroanilino)methyl]-1,4-naphthoquinone Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)CNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)CNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C33H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-31(25-34-26-21-23-27(24-22-26)35(38)39)33(37)29-20-17-16-19-28(29)32(30)36/h16-17,19-24,34H,2-15,18,25H2,1H3