(4-butoxycarbonylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-butoxycarbonylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-butoxycarbonylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-butoxycarbonylphenyl) ester Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClNO6/c1-2-3-10-25-17(21)12-4-7-14(8-5-12)26-18(22)13-6-9-15(19)16(11-13)20(23)24/h4-9,11H,2-3,10H2,1H3