2-[2-(4-nitrophenyl)carbonyloxyethyl-propan-2-yl-amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[2-(4-nitrophenyl)carbonyloxyethyl-propan-2-yl-amino]ethyl 4-nitrobenzoate Openeye Name: 2-[isopropyl-[2-(4-nitrobenzoyl)oxyethyl]amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[2-[(4-nitrophenyl)-oxomethoxy]ethyl-propan-2-ylamino]ethyl ester IUPAC Name: 2-[2-(4-nitrobenzoyl)oxyethyl-propan-2-ylamino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[isopropyl-[2-(4-nitrobenzoyl)oxyethyl]amino]ethyl ester Formula: C21H23N3O8 MolecularWeight: 445.42262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O8/c1-15(2)22(11-13-31-20(25)16-3-7-18(8-4-16)23(27)28)12-14-32-21(26)17-5-9-19(10-6-17)24(29)30/h3-10,15H,11-14H2,1-2H3