methyl 3-(2-azanylethanoylamino)-3-(4-nitrophenyl)propanoate hydrochloride

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-(4-nitrophenyl)propanoate hydrochloride Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-(4-nitrophenyl)propanoate hydrochloride CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(4-nitrophenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-(4-nitrophenyl)propanoate hydrochloride Traditional Name: 3-(glycylamino)-3-(4-nitrophenyl)propionic acid methyl ester hydrochloride Formula: C12H16ClN3O5 MolecularWeight: 317.72554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5.ClH/c1-20-12(17)6-10(14-11(16)7-13)8-2-4-9(5-3-8)15(18)19;/h2-5,10H,6-7,13H2,1H3,(H,14,16);1H