[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O5/c1-19-7-6-12-29(18-19)23-11-10-21(17-24(23)30(33)34)26(32)35-20(2)25(31)28-15-13-27(14-16-28)22-8-4-3-5-9-22/h3-5,8-11,17,19-20H,6-7,12-16,18H2,1-2H3