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

Systemtic Name: methyl 2-acetamido-3-(4-azanyl-3-nitro-phenyl)-2-methyl-propanoate Openeye Name: methyl 2-acetamido-3-(4-amino-3-nitro-phenyl)-2-methyl-propanoate CAS Name: 2-acetamido-3-(4-amino-3-nitrophenyl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-amino-3-nitrophenyl)-2-methylpropanoate Traditional Name: 2-acetamido-3-(4-amino-3-nitro-phenyl)-2-methyl-propionic acid methyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-8(17)15-13(2,12(18)21-3)7-9-4-5-10(14)11(6-9)16(19)20/h4-6H,7,14H2,1-3H3,(H,15,17)