ethyl 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-chlorobenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5/c1-2-30-21(27)17-11-16(12-19(13-17)25(28)29)20(26)24-8-6-23(7-9-24)14-15-4-3-5-18(22)10-15/h3-5,10-13H,2,6-9,14H2,1H3