1,3-bis(4-methoxy-3-nitro-phenyl)-1,3-bis(4-nitrophenyl)propan-2-one

Systemtic Name: 1,3-bis(4-methoxy-3-nitro-phenyl)-1,3-bis(4-nitrophenyl)propan-2-one Openeye Name: 1,3-bis(4-methoxy-3-nitro-phenyl)-1,3-bis(4-nitrophenyl)propan-2-one CAS Name: 1,3-bis(4-methoxy-3-nitrophenyl)-1,3-bis(4-nitrophenyl)-2-propanone IUPAC Name: 1,3-bis(4-methoxy-3-nitrophenyl)-1,3-bis(4-nitrophenyl)propan-2-one Traditional Name: 1,3-bis(4-methoxy-3-nitro-phenyl)-1,3-bis(4-nitrophenyl)acetone Formula: C29H22N4O11 MolecularWeight: 602.50518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H22N4O11/c1-43-25-13-7-19(15-23(25)32(39)40)27(17-3-9-21(10-4-17)30(35)36)29(34)28(18-5-11-22(12-6-18)31(37)38)20-8-14-26(44-2)24(16-20)33(41)42/h3-16,27-28H,1-2H3