(4-ethoxy-3-nitro-phenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]methanone Formula: C27H29N5O6 MolecularWeight: 519.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O6/c1-2-38-26-11-8-21(18-25(26)32(36)37)27(33)30-16-14-29(15-17-30)22-9-10-24(31(34)35)23(19-22)28-13-12-20-6-4-3-5-7-20/h3-11,18-19,28H,2,12-17H2,1H3