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

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-(3-nitro-2-oxidanyl-phenyl)propanoate hydrochloride Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-(2-hydroxy-3-nitro-phenyl)propanoate hydrochloride CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(2-hydroxy-3-nitrophenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-(2-hydroxy-3-nitrophenyl)propanoate hydrochloride Traditional Name: 3-(glycylamino)-3-(2-hydroxy-3-nitro-phenyl)propionic acid methyl ester hydrochloride Formula: C12H16ClN3O6 MolecularWeight: 333.72494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6.ClH/c1-21-11(17)5-8(14-10(16)6-13)7-3-2-4-9(12(7)18)15(19)20;/h2-4,8,18H,5-6,13H2,1H3,(H,14,16);1H