dimethyl 2-azanyl-3-cyano-5-nitro-4,6-bis(4-nitrophenyl)cyclohexene-1,3-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-3-cyano-5-nitro-4,6-bis(4-nitrophenyl)cyclohexene-1,3-dicarboxylate Openeye Name: dimethyl 2-amino-3-cyano-5-nitro-4,6-bis(4-nitrophenyl)cyclohexene-1,3-dicarboxylate CAS Name: 2-amino-3-cyano-5-nitro-4,6-bis(4-nitrophenyl)cyclohexene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-3-cyano-5-nitro-4,6-bis(4-nitrophenyl)cyclohexene-1,3-dicarboxylate Traditional Name: 2-amino-3-cyano-5-nitro-4,6-bis(4-nitrophenyl)cyclohexene-1,3-dicarboxylic acid dimethyl ester Formula: C23H19N5O10 MolecularWeight: 525.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(C(C1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])(C#N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(C(C(C(C1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])(C#N)C(=O)OC)N

InChI

InChI=1S/C23H19N5O10/c1-37-21(29)17-16(12-3-7-14(8-4-12)26(31)32)19(28(35)36)18(13-5-9-15(10-6-13)27(33)34)23(11-24,20(17)25)22(30)38-2/h3-10,16,18-19H,25H2,1-2H3