2-iodanyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-iodanyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-iodo-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-iodo-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-iodo-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-iodo-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid Formula: C16H11IN2O5 MolecularWeight: 438.17341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC2=CC(=C(C=C2)I)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CC(=C(C=C2)I)C(=O)O

InChI

InChI=1S/C16H11IN2O5/c17-14-6-5-11(9-13(14)16(21)22)18-15(20)7-4-10-2-1-3-12(8-10)19(23)24/h1-9H,(H,18,20)(H,21,22)/b7-4+