tert-butyl 2-[2-(methylamino)propyl]-5-nitro-benzoate

Systemtic Name: tert-butyl 2-[2-(methylamino)propyl]-5-nitro-benzoate Openeye Name: tert-butyl 2-[2-(methylamino)propyl]-5-nitro-benzoate CAS Name: 2-[2-(methylamino)propyl]-5-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(methylamino)propyl]-5-nitrobenzoate Traditional Name: 2-[2-(methylamino)propyl]-5-nitro-benzoic acid tert-butyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-10(16-5)8-11-6-7-12(17(19)20)9-13(11)14(18)21-15(2,3)4/h6-7,9-10,16H,8H2,1-5H3