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

Systemtic Name: 2-methoxyethyl 3-nitro-4-[[3-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 4-[3-(4-benzylpiperazin-1-yl)anilino]-3-nitro-benzoate CAS Name: 3-nitro-4-[3-[4-(phenylmethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-(4-benzylpiperazin-1-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(4-benzylpiperazino)anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O5/c1-35-16-17-36-27(32)22-10-11-25(26(18-22)31(33)34)28-23-8-5-9-24(19-23)30-14-12-29(13-15-30)20-21-6-3-2-4-7-21/h2-11,18-19,28H,12-17,20H2,1H3