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

Systemtic Name: phenyl 2-[2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-benzoate Openeye Name: phenyl 2-[2-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]-2-oxo-ethyl]-4-nitro-benzoate CAS Name: 2-[2-[4-(2-amino-2-oxoethyl)-1-piperazinyl]-2-oxoethyl]-4-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 2-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-4-nitrobenzoate Traditional Name: 2-[2-[4-(2-amino-2-keto-ethyl)piperazino]-2-keto-ethyl]-4-nitro-benzoic acid phenyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)N)C(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O6/c22-19(26)14-23-8-10-24(11-9-23)20(27)13-15-12-16(25(29)30)6-7-18(15)21(28)31-17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2,(H2,22,26)