4-[(3,5-dinitro-2-prop-2-enoxy-phenyl)diazenyl]benzoic acid

Systemtic Name: 4-[(3,5-dinitro-2-prop-2-enoxy-phenyl)diazenyl]benzoic acid Openeye Name: 4-(2-allyloxy-3,5-dinitro-phenyl)azobenzoic acid CAS Name: 4-(3,5-dinitro-2-prop-2-enoxyphenyl)azobenzoic acid IUPAC Name: 4-[(3,5-dinitro-2-prop-2-enoxyphenyl)diazenyl]benzoic acid Traditional Name: 4-(2-allyloxy-3,5-dinitro-phenyl)azobenzoic acid Formula: C16H12N4O7 MolecularWeight: 372.28908

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1N=NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CCOC1=C(C=C(C=C1N=NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O7/c1-2-7-27-15-13(8-12(19(23)24)9-14(15)20(25)26)18-17-11-5-3-10(4-6-11)16(21)22/h2-6,8-9H,1,7H2,(H,21,22)