methyl 2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-30-20(26)19(15-16-5-3-2-4-6-16)22-21(27)24-13-11-23(12-14-24)17-7-9-18(10-8-17)25(28)29/h2-10,19H,11-15H2,1H3,(H,22,27)