5-bromanyl-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid CAS Name: 5-bromo-2-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid Traditional Name: 5-bromo-2-[[3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O5/c17-11-4-7-14(13(9-11)16(21)22)18-15(20)8-3-10-1-5-12(6-2-10)19(23)24/h1-9H,(H,18,20)(H,21,22)