4-[[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: 4-[[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 4-[[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2R)-6-[(1S)-1-ammonioethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 4-[[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2R)-6-[(1S)-1-ammonioethyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N2O4/c1-11(20)15-7-8-17-16(9-15)21(18(22)12(2)25-17)10-13-3-5-14(6-4-13)19(23)24/h3-9,11-12H,10,20H2,1-2H3,(H,23,24)/t11-,12+/m0/s1