N-[5-[bis(2-methoxyethyl)amino]-2-(7-bromanyl-5-nitro-1-oxidanidyl-benzotriazol-1-ium-2-yl)-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[5-[bis(2-methoxyethyl)amino]-2-(7-bromanyl-5-nitro-1-oxidanidyl-benzotriazol-1-ium-2-yl)-4-methoxy-phenyl]ethanamide Openeye Name: N-[5-[bis(2-methoxyethyl)amino]-2-(7-bromo-5-nitro-1-oxido-benzotriazol-1-ium-2-yl)-4-methoxy-phenyl]acetamide CAS Name: N-[5-[bis(2-methoxyethyl)amino]-2-(7-bromo-5-nitro-1-oxido-2-benzotriazol-1-iumyl)-4-methoxyphenyl]acetamide IUPAC Name: N-[5-[bis(2-methoxyethyl)amino]-2-(7-bromo-5-nitro-1-oxidobenzotriazol-1-ium-2-yl)-4-methoxyphenyl]acetamide Traditional Name: N-[5-[bis(2-methoxyethyl)amino]-2-(7-bromo-5-nitro-1-oxido-benzotriazol-1-ium-2-yl)-4-methoxy-phenyl]acetamide Formula: C21H25BrN6O7 MolecularWeight: 553.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N2N=C3C=C(C=C(C3=[N+]2[O-])Br)[N+](=O)[O-])OC)N(CCOC)CCOC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N2N=C3C=C(C=C(C3=[N+]2[O-])Br)[N+](=O)[O-])OC)N(CCOC)CCOC

InChI

InChI=1S/C21H25BrN6O7/c1-13(29)23-16-11-19(25(5-7-33-2)6-8-34-3)20(35-4)12-18(16)26-24-17-10-14(28(31)32)9-15(22)21(17)27(26)30/h9-12H,5-8H2,1-4H3,(H,23,29)