ethyl 4-[4-(2-methoxycarbonylphenyl)carbonyl-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-methoxycarbonylphenyl)carbonyl-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(2-methoxycarbonylbenzoyl)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(2-methoxycarbonylphenyl)-oxomethyl]-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methoxycarbonylbenzoyl)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-carbomethoxybenzoyl)-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7/c1-3-32-22(28)24-12-10-23(11-13-24)18-9-8-15(14-19(18)25(29)30)20(26)16-6-4-5-7-17(16)21(27)31-2/h4-9,14H,3,10-13H2,1-2H3