methyl 3-nitro-5-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-(4-cinnamylpiperazine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-(4-cinnamylpiperazine-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-30-22(27)19-14-18(15-20(16-19)25(28)29)21(26)24-12-10-23(11-13-24)9-5-8-17-6-3-2-4-7-17/h2-8,14-16H,9-13H2,1H3