5-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-2-hydroxy-benzoic acid Formula: C16H11ClN2O6 MolecularWeight: 362.72134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O6/c17-12-4-1-9(7-13(12)19(24)25)2-6-15(21)18-10-3-5-14(20)11(8-10)16(22)23/h1-8,20H,(H,18,21)(H,22,23)/b6-2+