3-oxidanylidene-4-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 3-oxidanylidene-4-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-[(1S)-2-anilino-1-methyl-2-oxo-ethyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-[(2S)-1-anilino-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-[(2S)-1-anilino-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazine-7-carboxylic acid Traditional Name: 4-[(1S)-2-anilino-2-keto-1-methyl-ethyl]-3-keto-1,4-benzoxazine-7-carboxylic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2C(=O)COC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)N2C(=O)COC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16N2O5/c1-11(17(22)19-13-5-3-2-4-6-13)20-14-8-7-12(18(23)24)9-15(14)25-10-16(20)21/h2-9,11H,10H2,1H3,(H,19,22)(H,23,24)/t11-/m0/s1