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

Systemtic Name: 3-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O5/c17-13-6-4-10(8-14(13)19(23)24)5-7-15(20)18-12-3-1-2-11(9-12)16(21)22/h1-9H,(H,18,20)(H,21,22)/b7-5+