2-[4-[3,7-bis(oxidanylidene)-2,6-dihydroazepin-1-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3,7-bis(oxidanylidene)-2,6-dihydroazepin-1-yl]phenyl]ethanoic acid Openeye Name: 2-[4-(3,7-dioxo-2,6-dihydroazepin-1-yl)phenyl]acetic acid CAS Name: 2-[4-(3,7-dioxo-2,6-dihydroazepin-1-yl)phenyl]acetic acid IUPAC Name: 2-[4-(3,7-dioxo-2,6-dihydroazepin-1-yl)phenyl]acetic acid Traditional Name: 2-[4-(3,7-diketo-2,6-dihydroazepin-1-yl)phenyl]acetic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=O)CN(C1=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1C=CC(=O)CN(C1=O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H13NO4/c16-12-2-1-3-13(17)15(9-12)11-6-4-10(5-7-11)8-14(18)19/h1-2,4-7H,3,8-9H2,(H,18,19)