3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazine-7-carboxylate

Systemtic Name: 3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazine-7-carboxylate Openeye Name: 3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazine-7-carboxylate CAS Name: 3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazine-7-carboxylate IUPAC Name: 3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazine-7-carboxylate Traditional Name: 3-keto-4-(3-phenoxypropyl)-1,4-benzoxazine-7-carboxylate Formula: C18H16NO5- MolecularWeight: 326.32334

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)[O-])CCCOC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)[O-])CCCOC3=CC=CC=C3

InChI

InChI=1S/C18H17NO5/c20-17-12-24-16-11-13(18(21)22)7-8-15(16)19(17)9-4-10-23-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2,(H,21,22)/p-1