4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-(m-tolyl)-1,3-benzoxazol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(m-tolyl)-1,3-benzoxazol-6-yl]amino]butyrate Formula: C18H15N2O4- MolecularWeight: 323.3227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H16N2O4/c1-11-3-2-4-12(9-11)18-20-14-6-5-13(10-15(14)24-18)19-16(21)7-8-17(22)23/h2-6,9-10H,7-8H2,1H3,(H,19,21)(H,22,23)/p-1