3-[3-(2-chloranyl-5-nitro-phenyl)prop-2-enoylamino]benzoic acid

Systemtic Name: 3-[3-(2-chloranyl-5-nitro-phenyl)prop-2-enoylamino]benzoic acid Openeye Name: 3-[3-(2-chloro-5-nitro-phenyl)prop-2-enoylamino]benzoic acid CAS Name: 3-[[3-(2-chloro-5-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[3-(2-chloro-5-nitrophenyl)prop-2-enoylamino]benzoic acid Traditional Name: 3-[[3-(2-chloro-5-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C16H11ClN2O5 MolecularWeight: 346.72194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C16H11ClN2O5/c17-14-6-5-13(19(23)24)9-10(14)4-7-15(20)18-12-3-1-2-11(8-12)16(21)22/h1-9H,(H,18,20)(H,21,22)