methyl (2S)-2-[2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(6-nitro-2-oxochromene-3-carbonyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H19N3O8 MolecularWeight: 453.40156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C22H19N3O8/c1-32-22(29)17(9-13-5-3-2-4-6-13)24-19(26)12-23-20(27)16-11-14-10-15(25(30)31)7-8-18(14)33-21(16)28/h2-8,10-11,17H,9,12H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1