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

Systemtic Name: methyl 3-nitro-5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-[4-[(4-isopropylphenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(4-isopropylbenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-16(2)18-6-4-17(5-7-18)15-24-8-10-25(11-9-24)22(27)19-12-20(23(28)31-3)14-21(13-19)26(29)30/h4-7,12-14,16H,8-11,15H2,1-3H3