methyl 3-azanyl-4-tert-butyl-5-nitro-benzoate

Systemtic Name: methyl 3-azanyl-4-tert-butyl-5-nitro-benzoate Openeye Name: methyl 3-amino-4-tert-butyl-5-nitro-benzoate CAS Name: 3-amino-4-tert-butyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-amino-4-tert-butyl-5-nitrobenzoate Traditional Name: 3-amino-4-tert-butyl-5-nitro-benzoic acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-12(2,3)10-8(13)5-7(11(15)18-4)6-9(10)14(16)17/h5-6H,13H2,1-4H3