ethyl 4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate Openeye Name: ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 3-nitro-4-(4-p-toluoylpiperazino)benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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