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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-4-26-18-8-6-13(12(2)22)9-15(18)11-27-19(23)14-5-7-16(20-3)17(10-14)21(24)25/h5-10,20H,4,11H2,1-3H3