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

Systemtic Name: ethyl 3-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(m-tolyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(m-tolyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-3-29-21(26)17-12-16(13-19(14-17)24(27)28)20(25)23-9-7-22(8-10-23)18-6-4-5-15(2)11-18/h4-6,11-14H,3,7-10H2,1-2H3