2-nitro-6-[phenyl-(phenylazanylcarbamoylamino)carbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[phenyl-(phenylazanylcarbamoylamino)carbamoyl]benzoic acid Openeye Name: 2-[(anilinocarbamoylamino)-phenyl-carbamoyl]-6-nitro-benzoic acid CAS Name: 2-nitro-6-[oxo-(N-[[oxo-(phenylhydrazo)methyl]amino]anilino)methyl]benzoic acid IUPAC Name: 2-[(anilinocarbamoylamino)-phenylcarbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(anilinocarbamoylamino)-phenyl-carbamoyl]-6-nitro-benzoic acid Formula: C21H17N5O6 MolecularWeight: 435.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC(=O)NN(C2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NNC(=O)NN(C2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H17N5O6/c27-19(16-12-7-13-17(26(31)32)18(16)20(28)29)25(15-10-5-2-6-11-15)24-21(30)23-22-14-8-3-1-4-9-14/h1-13,22H,(H,28,29)(H2,23,24,30)