ethyl 2-[3-(4-nitrophenyl)-6-oxidanylidene-5-phenyl-1,2,4,5-tetrazinan-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-nitrophenyl)-6-oxidanylidene-5-phenyl-1,2,4,5-tetrazinan-1-yl]ethanoate Openeye Name: ethyl 2-[3-(4-nitrophenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-1-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-nitrophenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-1-yl]acetate Traditional Name: 2-[6-keto-3-(4-nitrophenyl)-5-phenyl-1,2,4,5-tetrazinan-1-yl]acetic acid ethyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(NC(N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C(=O)N(NC(N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O5/c1-2-28-16(24)12-21-18(25)22(14-6-4-3-5-7-14)20-17(19-21)13-8-10-15(11-9-13)23(26)27/h3-11,17,19-20H,2,12H2,1H3