ethyl 3-(4-nitrophenyl)-2-phenyl-4H-1,3,4,6-benzotetrazocine-5-carboxylate

Systemtic Name: ethyl 3-(4-nitrophenyl)-2-phenyl-4H-1,3,4,6-benzotetrazocine-5-carboxylate Openeye Name: ethyl 3-(4-nitrophenyl)-2-phenyl-4H-1,3,4,6-benzotetrazocine-5-carboxylate CAS Name: 3-(4-nitrophenyl)-2-phenyl-4H-1,3,4,6-benzotetrazocine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-nitrophenyl)-2-phenyl-4H-1,3,4,6-benzotetrazocine-5-carboxylate Traditional Name: 3-(4-nitrophenyl)-2-phenyl-4H-1,3,4,6-benzotetrazocine-5-carboxylic acid ethyl ester Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C(N(N1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C(N(N1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O4/c1-2-32-23(29)21-24-19-10-6-7-11-20(19)25-22(16-8-4-3-5-9-16)27(26-21)17-12-14-18(15-13-17)28(30)31/h3-15H,2H2,1H3,(H,24,26)