O1-[2,2-bis(4-nitrophenyl)ethyl] O3-ethyl 4-oxidanylidenequinoline-1,3-dicarboxylate

Systemtic Name: O1-[2,2-bis(4-nitrophenyl)ethyl] O3-ethyl 4-oxidanylidenequinoline-1,3-dicarboxylate Openeye Name: O1-[2,2-bis(4-nitrophenyl)ethyl] O3-ethyl 4-oxoquinoline-1,3-dicarboxylate CAS Name: 4-oxoquinoline-1,3-dicarboxylic acid O1-[2,2-bis(4-nitrophenyl)ethyl] ester O3-ethyl ester IUPAC Name: 1-O-[2,2-bis(4-nitrophenyl)ethyl] 3-O-ethyl 4-oxoquinoline-1,3-dicarboxylate Traditional Name: 4-ketoquinoline-1,3-dicarboxylic acid O1-[2,2-bis(4-nitrophenyl)ethyl] ester O3-ethyl ester Formula: C27H21N3O9 MolecularWeight: 531.47034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC=CC=C2C1=O)C(=O)OCC(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC=CC=C2C1=O)C(=O)OCC(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O9/c1-2-38-26(32)22-15-28(24-6-4-3-5-21(24)25(22)31)27(33)39-16-23(17-7-11-19(12-8-17)29(34)35)18-9-13-20(14-10-18)30(36)37/h3-15,23H,2,16H2,1H3