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

Systemtic Name: methyl 3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-30-20(27)15-10-14(11-16(12-15)23(28)29)19(26)22-8-6-21(7-9-22)18(25)13-2-4-17(24)5-3-13/h2-5,10-12,24H,6-9H2,1H3