N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(3-keto-1,4-benzoxazin-4-yl)-N-methyl-propionamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H22BrN3O4/c1-14-11-15(22)7-8-16(14)23-19(26)12-24(2)20(27)9-10-25-17-5-3-4-6-18(17)29-13-21(25)28/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,26)