3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-7-carboxylate

Systemtic Name: 3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-7-carboxylate Openeye Name: 3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-7-carboxylate CAS Name: 3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazine-7-carboxylate IUPAC Name: 3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-7-carboxylate Traditional Name: 3-keto-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-7-carboxylate Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)COC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)COC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c18-14-10-21-13-9-11(15(19)20)3-4-12(13)17(14)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8,10H2,(H,19,20)