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

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-(3-nitro-2-oxidanyl-phenyl)propanoate Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-(2-hydroxy-3-nitro-phenyl)propanoate CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(2-hydroxy-3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-(2-hydroxy-3-nitrophenyl)propanoate Traditional Name: 3-(glycylamino)-3-(2-hydroxy-3-nitro-phenyl)propionic acid methyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/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)