[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(4-methoxy-2-nitro-phenyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-33-17-5-7-19(21(15-17)27(31)32)24-10-12-25(13-11-24)22(28)16-4-6-18(20(14-16)26(29)30)23-8-2-3-9-23/h4-7,14-15H,2-3,8-13H2,1H3