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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18BrN5O3/c1-12-10-13(20)6-7-15(12)22-18(27)11-21-17(26)8-9-25-19(28)14-4-2-3-5-16(14)23-24-25/h2-7,10H,8-9,11H2,1H3,(H,21,26)(H,22,27)