3-[[2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]acryloyl]amino]benzoic acid Formula: C23H14N4O8 MolecularWeight: 474.37926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C#N)C(=O)O

InChI

InChI=1S/C23H14N4O8/c24-13-16(22(28)25-17-3-1-2-15(11-17)23(29)30)10-14-4-7-19(8-5-14)35-21-9-6-18(26(31)32)12-20(21)27(33)34/h1-12H,(H,25,28)(H,29,30)