4-[3-(4-aminocarbonylphenyl)-5-nitro-indazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(4-aminocarbonylphenyl)-5-nitro-indazol-1-yl]benzoic acid Openeye Name: 4-[3-(4-carbamoylphenyl)-5-nitro-indazol-1-yl]benzoic acid CAS Name: 4-[3-(4-carbamoylphenyl)-5-nitro-1-indazolyl]benzoic acid IUPAC Name: 4-[3-(4-carbamoylphenyl)-5-nitroindazol-1-yl]benzoic acid Traditional Name: 4-[3-(4-carbamoylphenyl)-5-nitro-indazol-1-yl]benzoic acid Formula: C21H14N4O5 MolecularWeight: 402.35966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C21H14N4O5/c22-20(26)13-3-1-12(2-4-13)19-17-11-16(25(29)30)9-10-18(17)24(23-19)15-7-5-14(6-8-15)21(27)28/h1-11H,(H2,22,26)(H,27,28)