methyl 2-[[4-[2-(4-chloranyl-3-nitro-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[2-(4-chloranyl-3-nitro-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[[2-(4-chloro-3-nitro-phenyl)acetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[2-(4-chloro-3-nitrophenyl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(4-chloro-3-nitrophenyl)acetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[[2-(4-chloro-3-nitro-phenyl)acetyl]amino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C18H23ClN4O7 MolecularWeight: 442.85082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN4O7/c1-30-16(26)13(10-24)21-17(27)18(4-6-20-7-5-18)22-15(25)9-11-2-3-12(19)14(8-11)23(28)29/h2-3,8,13,20,24H,4-7,9-10H2,1H3,(H,21,27)(H,22,25)