4-[3-(4-ethylphenoxy)propyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylate

Systemtic Name: 4-[3-(4-ethylphenoxy)propyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylate Openeye Name: 4-[3-(4-ethylphenoxy)propyl]-3-oxo-1,4-benzoxazine-7-carboxylate CAS Name: 4-[3-(4-ethylphenoxy)propyl]-3-oxo-1,4-benzoxazine-7-carboxylate IUPAC Name: 4-[3-(4-ethylphenoxy)propyl]-3-oxo-1,4-benzoxazine-7-carboxylate Traditional Name: 4-[3-(4-ethylphenoxy)propyl]-3-keto-1,4-benzoxazine-7-carboxylate Formula: C20H20NO5- MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCN2C(=O)COC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCN2C(=O)COC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C20H21NO5/c1-2-14-4-7-16(8-5-14)25-11-3-10-21-17-9-6-15(20(23)24)12-18(17)26-13-19(21)22/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,24)/p-1