methyl 2-[4-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-amino-2-oxo-1-phenyl-ethyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-amino-2-oxo-1-phenylethyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-amino-2-oxo-1-phenylethyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-amino-2-keto-1-phenyl-ethyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H22N4O5/c1-29-20(26)16-13-15(24(27)28)7-8-17(16)22-9-11-23(12-10-22)18(19(21)25)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3,(H2,21,25)