methyl 3-(2-azanylethanoylamino)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)propanoate hydrochloride

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)propanoate hydrochloride Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-(5-bromo-2-hydroxy-3-nitro-phenyl)propanoate hydrochloride CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(5-bromo-2-hydroxy-3-nitrophenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-(5-bromo-2-hydroxy-3-nitrophenyl)propanoate hydrochloride Traditional Name: 3-(5-bromo-2-hydroxy-3-nitro-phenyl)-3-(glycylamino)propionic acid methyl ester hydrochloride Formula: C12H15BrClN3O6 MolecularWeight: 412.621

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC(=CC(=C1O)[N+](=O)[O-])Br)NC(=O)CN.Cl

Isomeric SMILES

COC(=O)CC(C1=CC(=CC(=C1O)[N+](=O)[O-])Br)NC(=O)CN.Cl

InChI

InChI=1S/C12H14BrN3O6.ClH/c1-22-11(18)4-8(15-10(17)5-14)7-2-6(13)3-9(12(7)19)16(20)21;/h2-3,8,19H,4-5,14H2,1H3,(H,15,17);1H