O2-tert-butyl O1-methyl 4-nitrobenzene-1,2-dicarboxylate; 2-phenylethanamine

Systemtic Name: O2-tert-butyl O1-methyl 4-nitrobenzene-1,2-dicarboxylate; 2-phenylethanamine Openeye Name: O2-tert-butyl O1-methyl 4-nitrobenzene-1,2-dicarboxylate; 2-phenylethanamine CAS Name: 4-nitrobenzene-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester; 2-phenylethanamine IUPAC Name: 2-O-tert-butyl 1-O-methyl 4-nitrobenzene-1,2-dicarboxylate; 2-phenylethanamine Traditional Name: 4-nitrobenzene-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester; phenethylamine Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6.C8H11N/c1-13(2,3)20-12(16)10-7-8(14(17)18)5-6-9(10)11(15)19-4;9-7-6-8-4-2-1-3-5-8/h5-7H,1-4H3;1-5H,6-7,9H2