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

Systemtic Name: 2-methoxyethyl 3-nitro-4-[[3-[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 4-[3-[4-(2-benzyloxy-2-oxo-ethyl)piperazin-1-yl]anilino]-3-nitro-benzoate CAS Name: 3-nitro-4-[3-[4-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-nitro-4-[3-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]anilino]benzoate Traditional Name: 4-[3-[4-(2-benzoxy-2-keto-ethyl)piperazino]anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C29H32N4O7 MolecularWeight: 548.58698

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H32N4O7/c1-38-16-17-39-29(35)23-10-11-26(27(18-23)33(36)37)30-24-8-5-9-25(19-24)32-14-12-31(13-15-32)20-28(34)40-21-22-6-3-2-4-7-22/h2-11,18-19,30H,12-17,20-21H2,1H3