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

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-(4-methyl-3-nitro-phenyl)propanoate hydrochloride Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-(4-methyl-3-nitro-phenyl)propanoate hydrochloride CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(4-methyl-3-nitrophenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-(4-methyl-3-nitrophenyl)propanoate hydrochloride Traditional Name: 3-(glycylamino)-3-(4-methyl-3-nitro-phenyl)propionic acid methyl ester hydrochloride Formula: C13H18ClN3O5 MolecularWeight: 331.75212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CN)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CN)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H17N3O5.ClH/c1-8-3-4-9(5-11(8)16(19)20)10(6-13(18)21-2)15-12(17)7-14;/h3-5,10H,6-7,14H2,1-2H3,(H,15,17);1H