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

Systemtic Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H22N4O6/c1-29-18-5-3-2-4-17(18)22-8-10-23(11-9-22)19(25)13-30-20(26)15-12-14(24(27)28)6-7-16(15)21/h2-7,12H,8-11,13,21H2,1H3