ethyl 3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-2-31-21(28)16-11-15(12-17(13-16)24(29)30)20(27)23-9-7-22(8-10-23)19(26)14-3-5-18(25)6-4-14/h3-6,11-13,25H,2,7-10H2,1H3