diethyl 2-[1,4-bis[(3-nitrophenyl)sulfonylamino]naphthalen-2-yl]propanedioate

Systemtic Name: diethyl 2-[1,4-bis[(3-nitrophenyl)sulfonylamino]naphthalen-2-yl]propanedioate Openeye Name: diethyl 2-[1,4-bis[(3-nitrophenyl)sulfonylamino]-2-naphthyl]propanedioate CAS Name: 2-[1,4-bis[(3-nitrophenyl)sulfonylamino]-2-naphthalenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,4-bis[(3-nitrophenyl)sulfonylamino]naphthalen-2-yl]propanedioate Traditional Name: 2-[1,4-bis[(3-nitrophenyl)sulfonylamino]-2-naphthyl]malonic acid diethyl ester Formula: C29H26N4O12S2 MolecularWeight: 686.66634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C29H26N4O12S2/c1-3-44-28(34)26(29(35)45-4-2)24-17-25(30-46(40,41)20-11-7-9-18(15-20)32(36)37)22-13-5-6-14-23(22)27(24)31-47(42,43)21-12-8-10-19(16-21)33(38)39/h5-17,26,30-31H,3-4H2,1-2H3