methyl 3-nitro-4-[4-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 3-nitro-4-[4-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[(2-allyloxy-1-naphthyl)methyl]piperazin-1-yl]-3-nitro-benzoate CAS Name: 3-nitro-4-[4-[(2-prop-2-enoxy-1-naphthalenyl)methyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(2-allyloxy-1-naphthyl)methyl]piperazino]-3-nitro-benzoic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5/c1-3-16-34-25-11-9-19-6-4-5-7-21(19)22(25)18-27-12-14-28(15-13-27)23-10-8-20(26(30)33-2)17-24(23)29(31)32/h3-11,17H,1,12-16,18H2,2H3