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2-[2-(decyliminomethyl)-4-nitro-phenoxy]carbonylbenzoic acid

2-[2-(decyliminomethyl)-4-nitro-phenoxy]carbonylbenzoic acid

Systemtic Name:2-[2-(decyliminomethyl)-4-nitro-phenoxy]carbonylbenzoic acid
Openeye Name:2-[2-(decyliminomethyl)-4-nitro-phenoxy]carbonylbenzoic acid
CAS Name:2-[[2-(decyliminomethyl)-4-nitrophenoxy]-oxomethyl]benzoic acid
IUPAC Name:2-[2-(decyliminomethyl)-4-nitrophenoxy]carbonylbenzoic acid
Traditional Name:2-[2-(decyliminomethyl)-4-nitro-phenoxy]carbonylbenzoic acid
Formula: C25H30N2O6
MolecularWeight: 454.5155
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN=CC1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2C(=O)O


Isomeric SMILES

CCCCCCCCCCN=CC1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2C(=O)O


InChI

InChI=1S/C25H30N2O6/c1-2-3-4-5-6-7-8-11-16-26-18-19-17-20(27(31)32)14-15-23(19)33-25(30)22-13-10-9-12-21(22)24(28)29/h9-10,12-15,17-18H,2-8,11,16H2,1H3,(H,28,29)


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