[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-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] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O7/c1-4-32-21-14-18(19(26(29)30)15-20(21)31-3)23(28)33-16(2)22(27)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,14-16H,4,10-13H2,1-3H3