ditert-butyl 2-(4-azanyl-2-nitro-naphthalen-1-yl)propanedioate

Systemtic Name: ditert-butyl 2-(4-azanyl-2-nitro-naphthalen-1-yl)propanedioate Openeye Name: ditert-butyl 2-(4-amino-2-nitro-1-naphthyl)propanedioate CAS Name: 2-(4-amino-2-nitro-1-naphthalenyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-amino-2-nitronaphthalen-1-yl)propanedioate Traditional Name: 2-(4-amino-2-nitro-1-naphthyl)malonic acid ditert-butyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=C(C2=CC=CC=C21)N)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=C(C2=CC=CC=C21)N)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O6/c1-20(2,3)28-18(24)17(19(25)29-21(4,5)6)16-13-10-8-7-9-12(13)14(22)11-15(16)23(26)27/h7-11,17H,22H2,1-6H3