methyl 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O6/c1-33-25(30)19-9-10-23(22(15-19)28(31)32)34-17-24(29)27-13-11-26(12-14-27)16-20-7-4-6-18-5-2-3-8-21(18)20/h2-10,15H,11-14,16-17H2,1H3