methyl 3-(2-azanylethanoylamino)-3-(4-chloranyl-3-nitro-phenyl)propanoate hydrochloride

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-(4-chloranyl-3-nitro-phenyl)propanoate hydrochloride Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-(4-chloro-3-nitro-phenyl)propanoate hydrochloride CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(4-chloro-3-nitrophenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-(4-chloro-3-nitrophenyl)propanoate hydrochloride Traditional Name: 3-(4-chloro-3-nitro-phenyl)-3-(glycylamino)propionic acid methyl ester hydrochloride Formula: C12H15Cl2N3O5 MolecularWeight: 352.1706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O5.ClH/c1-21-12(18)5-9(15-11(17)6-14)7-2-3-8(13)10(4-7)16(19)20;/h2-4,9H,5-6,14H2,1H3,(H,15,17);1H