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

Systemtic Name: 4-chloranyl-3-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(E)-3-(4-dimethylaminophenyl)acryloyl]amino]benzoic acid Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C18H17ClN2O3/c1-21(2)14-7-3-12(4-8-14)5-10-17(22)20-16-11-13(18(23)24)6-9-15(16)19/h3-11H,1-2H3,(H,20,22)(H,23,24)/b10-5+