2-methoxyethyl 3-nitro-4-[[3-[4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]phenyl]amino]benzoate

Systemtic Name: 2-methoxyethyl 3-nitro-4-[[3-[4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 4-[3-[4-(2-isopropoxy-2-oxo-ethyl)piperazin-1-yl]anilino]-3-nitro-benzoate CAS Name: 3-nitro-4-[3-[4-(2-oxo-2-propan-2-yloxyethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-nitro-4-[3-[4-(2-oxo-2-propan-2-yloxyethyl)piperazin-1-yl]anilino]benzoate Traditional Name: 4-[3-[4-(2-isopropoxy-2-keto-ethyl)piperazino]anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C25H32N4O7 MolecularWeight: 500.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O7/c1-18(2)36-24(30)17-27-9-11-28(12-10-27)21-6-4-5-20(16-21)26-22-8-7-19(15-23(22)29(32)33)25(31)35-14-13-34-3/h4-8,15-16,18,26H,9-14,17H2,1-3H3