propyl 2-[[2-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propyl 2-[[2-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: propyl 2-[[2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid propyl ester IUPAC Name: propyl 2-[[2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid propyl ester Formula: C24H28N4O8 MolecularWeight: 500.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O8/c1-4-10-36-24(31)20(11-16-8-6-5-7-9-16)25-23(30)21(15(2)3)26-22(29)17-12-18(27(32)33)14-19(13-17)28(34)35/h5-9,12-15,20-21H,4,10-11H2,1-3H3,(H,25,30)(H,26,29)