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

Systemtic Name: 4-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazine-7-carboxylic acid Traditional Name: 3-keto-4-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]-1,4-benzoxazine-7-carboxylic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)COC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)N2C(=O)COC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18N2O5/c1-11-3-6-14(7-4-11)20-18(23)12(2)21-15-8-5-13(19(24)25)9-16(15)26-10-17(21)22/h3-9,12H,10H2,1-2H3,(H,20,23)(H,24,25)/t12-/m0/s1