3-[2-[4-[(2,4-dinitrophenyl)amino]phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(2,4-dinitrophenyl)amino]phenoxy]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(2,4-dinitroanilino)phenoxy]acetyl]amino]benzoic acid CAS Name: 3-[[2-[4-(2,4-dinitroanilino)phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(2,4-dinitroanilino)phenoxy]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[4-(2,4-dinitroanilino)phenoxy]acetyl]amino]benzoic acid Formula: C21H16N4O8 MolecularWeight: 452.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N4O8/c26-20(23-15-3-1-2-13(10-15)21(27)28)12-33-17-7-4-14(5-8-17)22-18-9-6-16(24(29)30)11-19(18)25(31)32/h1-11,22H,12H2,(H,23,26)(H,27,28)