3-[1-(3-carboxy-2-methoxy-5-nitro-phenyl)hept-1-enyl]-2-methoxy-5-nitro-benzoic acid

Systemtic Name: 3-[1-(3-carboxy-2-methoxy-5-nitro-phenyl)hept-1-enyl]-2-methoxy-5-nitro-benzoic acid Openeye Name: 3-[1-(3-carboxy-2-methoxy-5-nitro-phenyl)hept-1-enyl]-2-methoxy-5-nitro-benzoic acid CAS Name: 3-[1-(3-carboxy-2-methoxy-5-nitrophenyl)hept-1-enyl]-2-methoxy-5-nitrobenzoic acid IUPAC Name: 3-[1-(3-carboxy-2-methoxy-5-nitrophenyl)hept-1-enyl]-2-methoxy-5-nitrobenzoic acid Traditional Name: 3-[1-(3-carboxy-2-methoxy-5-nitro-phenyl)hept-1-enyl]-2-methoxy-5-nitro-benzoic acid Formula: C23H24N2O10 MolecularWeight: 488.44406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C1=CC(=CC(=C1OC)C(=O)O)[N+](=O)[O-])C2=CC(=CC(=C2OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC=C(C1=CC(=CC(=C1OC)C(=O)O)[N+](=O)[O-])C2=CC(=CC(=C2OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O10/c1-4-5-6-7-8-15(16-9-13(24(30)31)11-18(22(26)27)20(16)34-2)17-10-14(25(32)33)12-19(23(28)29)21(17)35-3/h8-12H,4-7H2,1-3H3,(H,26,27)(H,28,29)