(4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxo-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-[(1,3-dioxo-3-phenylpropyl)amino]-4-(1-oxobutoxy)-1-azetidinyl]-3-methyl-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxo-3-phenylpropanoyl)amino]azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-butyryloxy-4-[(3-keto-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C28H31N3O8 MolecularWeight: 537.56104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(N1C(=C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC1CC(N1C(=C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O8/c1-4-8-26(34)39-25-16-23(29-24(33)15-22(32)20-9-6-5-7-10-20)30(25)27(18(2)3)28(35)38-17-19-11-13-21(14-12-19)31(36)37/h5-7,9-14,23,25H,4,8,15-17H2,1-3H3,(H,29,33)