methyl 2-[[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 2-[[5-(4-acetylpiperazin-1-yl)-2-nitro-benzoyl]amino]propanoate CAS Name: 2-[[[5-(4-acetyl-1-piperazinyl)-2-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-acetylpiperazin-1-yl)-2-nitrobenzoyl]amino]propanoate Traditional Name: 2-[[5-(4-acetylpiperazino)-2-nitro-benzoyl]amino]propionic acid methyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)NC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6/c1-11(17(24)27-3)18-16(23)14-10-13(4-5-15(14)21(25)26)20-8-6-19(7-9-20)12(2)22/h4-5,10-11H,6-9H2,1-3H3,(H,18,23)