ethyl ethanoate; 5-nitro-1,3-bis(triphenylmethyl)pyrimidine-2,4-dione

Systemtic Name: ethyl ethanoate; 5-nitro-1,3-bis(triphenylmethyl)pyrimidine-2,4-dione Openeye Name: ethyl acetate; 5-nitro-1,3-ditrityl-pyrimidine-2,4-dione CAS Name: acetic acid ethyl ester; 5-nitro-1,3-bis(triphenylmethyl)pyrimidine-2,4-dione IUPAC Name: ethyl acetate; 5-nitro-1,3-ditritylpyrimidine-2,4-dione Traditional Name: acetic acid ethyl ester; 5-nitro-1,3-ditrityl-pyrimidine-2,4-quinone Formula: C46H39N3O6 MolecularWeight: 729.81836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=O)N(C4=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=O)N(C4=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C42H31N3O4.C4H8O2/c46-39-38(45(48)49)31-43(41(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)40(47)44(39)42(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37;1-3-6-4(2)5/h1-31H;3H2,1-2H3