4-[[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-methoxycarbonyl-amino]benzoic acid

Systemtic Name: 4-[[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-methoxycarbonyl-amino]benzoic acid Openeye Name: 4-[[(E)-4,4-dimethyl-3-oxo-pent-1-enyl]-methoxycarbonyl-amino]benzoic acid CAS Name: 4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]-methoxycarbonylamino]benzoic acid IUPAC Name: 4-[[(E)-4,4-dimethyl-3-oxopent-1-enyl]-methoxycarbonylamino]benzoic acid Traditional Name: 4-[carbomethoxy-[(E)-3-keto-4,4-dimethyl-pent-1-enyl]amino]benzoic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=CN(C1=CC=C(C=C1)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)/C=C/N(C1=CC=C(C=C1)C(=O)O)C(=O)OC

InChI

InChI=1S/C16H19NO5/c1-16(2,3)13(18)9-10-17(15(21)22-4)12-7-5-11(6-8-12)14(19)20/h5-10H,1-4H3,(H,19,20)/b10-9+