methyl 2-acetamido-3-(4-azanyl-3-nitro-phenyl)propanoate

Systemtic Name: methyl 2-acetamido-3-(4-azanyl-3-nitro-phenyl)propanoate Openeye Name: methyl 2-acetamido-3-(4-amino-3-nitro-phenyl)propanoate CAS Name: 2-acetamido-3-(4-amino-3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-amino-3-nitrophenyl)propanoate Traditional Name: 2-acetamido-3-(4-amino-3-nitro-phenyl)propionic acid methyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-7(16)14-10(12(17)20-2)5-8-3-4-9(13)11(6-8)15(18)19/h3-4,6,10H,5,13H2,1-2H3,(H,14,16)