(2-nitrophenyl) (2Z)-3-methyl-2-(2-nitroethylidene)nonanoate

Systemtic Name: (2-nitrophenyl) (2Z)-3-methyl-2-(2-nitroethylidene)nonanoate Openeye Name: (2-nitrophenyl) (2Z)-3-methyl-2-(2-nitroethylidene)nonanoate CAS Name: (2Z)-3-methyl-2-(2-nitroethylidene)nonanoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) (2Z)-3-methyl-2-(2-nitroethylidene)nonanoate Traditional Name: (Z)-2-(1-methylheptyl)-4-nitro-but-2-enoic acid (2-nitrophenyl) ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=CC[N+](=O)[O-])C(=O)OC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)/C(=C/C[N+](=O)[O-])/C(=O)OC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-3-4-5-6-9-14(2)15(12-13-19(22)23)18(21)26-17-11-8-7-10-16(17)20(24)25/h7-8,10-12,14H,3-6,9,13H2,1-2H3/b15-12-