3-[2,3-bis(oxidanyl)propyl-[4-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]naphthalen-1-yl]amino]propane-1,2-diol

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-[4-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]naphthalen-1-yl]amino]propane-1,2-diol Openeye Name: 3-[[4-(2-chloro-4,6-dinitro-phenyl)azo-1-naphthyl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol CAS Name: 3-[[4-(2-chloro-4,6-dinitrophenyl)azo-1-naphthalenyl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol IUPAC Name: 3-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]-(2,3-dihydroxypropyl)amino]propane-1,2-diol Traditional Name: 3-[[4-(2-chloro-4,6-dinitro-phenyl)azo-1-naphthyl]-glyceryl-amino]propane-1,2-diol Formula: C22H22ClN5O8 MolecularWeight: 519.89178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N(CC(CO)O)CC(CO)O)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N(CC(CO)O)CC(CO)O)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O8/c23-18-7-13(27(33)34)8-21(28(35)36)22(18)25-24-19-5-6-20(17-4-2-1-3-16(17)19)26(9-14(31)11-29)10-15(32)12-30/h1-8,14-15,29-32H,9-12H2