phenacyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: phenacyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: phenacyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid phenacyl ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H17ClN2O5/c23-19-9-5-4-8-16(19)13-24-20-11-10-17(25(28)29)12-18(20)22(27)30-14-21(26)15-6-2-1-3-7-15/h1-12,24H,13-14H2