(5-ethanoyl-2-ethoxy-phenyl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

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