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

Systemtic Name: methyl 5-nitro-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]benzoate Openeye Name: methyl 2-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-anilino-2-keto-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)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

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