4-[carboxy(ethyl)carbamoyl]-2-[4-(nitrooxymethyl)phenyl]carbonyloxy-3-phenyldiazenyl-benzoic acid

Systemtic Name: 4-[carboxy(ethyl)carbamoyl]-2-[4-(nitrooxymethyl)phenyl]carbonyloxy-3-phenyldiazenyl-benzoic acid Openeye Name: 4-[carboxy(ethyl)carbamoyl]-2-[4-(nitrooxymethyl)benzoyl]oxy-3-phenylazo-benzoic acid CAS Name: 4-[[carboxy(ethyl)amino]-oxomethyl]-2-[[4-(nitrooxymethyl)phenyl]-oxomethoxy]-3-phenyldiazenylbenzoic acid IUPAC Name: 4-[carboxy(ethyl)carbamoyl]-2-[4-(nitrooxymethyl)benzoyl]oxy-3-phenyldiazenylbenzoic acid Traditional Name: 4-[carboxy(ethyl)carbamoyl]-2-[4-(nitrooxymethyl)benzoyl]oxy-3-phenylazo-benzoic acid Formula: C25H20N4O10 MolecularWeight: 536.4471

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=C(C(=C(C=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)CO[N+](=O)[O-])N=NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(C(=O)C1=C(C(=C(C=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)CO[N+](=O)[O-])N=NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H20N4O10/c1-2-28(25(34)35)22(30)18-12-13-19(23(31)32)21(20(18)27-26-17-6-4-3-5-7-17)39-24(33)16-10-8-15(9-11-16)14-38-29(36)37/h3-13H,2,14H2,1H3,(H,31,32)(H,34,35)