2-[[2-[(4-nitro-2-oxidanyl-phenyl)carbamoylamino]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[2-[(4-nitro-2-oxidanyl-phenyl)carbamoylamino]phenoxy]methyl]benzoic acid Openeye Name: 2-[[2-[(2-hydroxy-4-nitro-phenyl)carbamoylamino]phenoxy]methyl]benzoic acid CAS Name: 2-[[2-[[(2-hydroxy-4-nitroanilino)-oxomethyl]amino]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenoxy]methyl]benzoic acid Traditional Name: 2-[[2-[(2-hydroxy-4-nitro-phenyl)carbamoylamino]phenoxy]methyl]benzoic acid Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC=CC=C2NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=CC=C2NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C21H17N3O7/c25-18-11-14(24(29)30)9-10-16(18)22-21(28)23-17-7-3-4-8-19(17)31-12-13-5-1-2-6-15(13)20(26)27/h1-11,25H,12H2,(H,26,27)(H2,22,23,28)