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

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

Systemtic Name:phenacyl 4-(cyclopropylamino)-3-nitro-benzoate
Openeye Name:phenacyl 4-(cyclopropylamino)-3-nitro-benzoate
CAS Name:4-(cyclopropylamino)-3-nitrobenzoic acid phenacyl ester
IUPAC Name:phenacyl 4-(cyclopropylamino)-3-nitrobenzoate
Traditional Name:4-(cyclopropylamino)-3-nitro-benzoic acid phenacyl ester
Formula: C18H16N2O5
MolecularWeight: 340.33004
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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H16N2O5/c21-17(12-4-2-1-3-5-12)11-25-18(22)13-6-9-15(19-14-7-8-14)16(10-13)20(23)24/h1-6,9-10,14,19H,7-8,11H2


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