(4-ethanoylphenyl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (4-ethanoylphenyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (4-acetylphenyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (4-acetylphenyl) ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-11(21)12-2-7-15(8-3-12)25-18(22)13-4-9-16(19-14-5-6-14)17(10-13)20(23)24/h2-4,7-10,14,19H,5-6H2,1H3