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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-11(21)12-5-7-17(25-3)14(8-12)10-26-18(22)13-4-6-15(19-2)16(9-13)20(23)24/h4-9,19H,10H2,1-3H3