[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=NOC3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=NOC3=CC=CC=C32)Br

InChI

InChI=1S/C18H15BrN2O4/c1-11-6-7-12(8-14(11)19)20-17(22)10-24-18(23)9-15-13-4-2-3-5-16(13)25-21-15/h2-8H,9-10H2,1H3,(H,20,22)