3-methyl-4-[[(E)-(2-oxidanylidenecycloheptylidene)methyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-(2-oxidanylidenecycloheptylidene)methyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzoic acid Traditional Name: 4-[[(E)-(2-ketocycloheptylidene)methyl]amino]-3-methyl-benzoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC=C2CCCCCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)N/C=C/2\CCCCCC2=O

InChI

InChI=1S/C16H19NO3/c1-11-9-12(16(19)20)7-8-14(11)17-10-13-5-3-2-4-6-15(13)18/h7-10,17H,2-6H2,1H3,(H,19,20)/b13-10+