4-[(4-dodecyl-1,2,3,4-tetrahydroquinolin-6-yl)diazenyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-dodecyl-1,2,3,4-tetrahydroquinolin-6-yl)diazenyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-dodecyl-1,2,3,4-tetrahydroquinolin-6-yl)azo]-3-nitro-benzoic acid CAS Name: 4-[(4-dodecyl-1,2,3,4-tetrahydroquinolin-6-yl)azo]-3-nitrobenzoic acid IUPAC Name: 4-[(4-dodecyl-1,2,3,4-tetrahydroquinolin-6-yl)diazenyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-lauryl-1,2,3,4-tetrahydroquinolin-6-yl)azo]-3-nitro-benzoic acid Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CCNC2=C1C=C(C=C2)N=NC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1CCNC2=C1C=C(C=C2)N=NC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H38N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-21-17-18-29-25-16-14-23(20-24(21)25)30-31-26-15-13-22(28(33)34)19-27(26)32(35)36/h13-16,19-21,29H,2-12,17-18H2,1H3,(H,33,34)