methyl (2S)-3-(4-hydroxyphenyl)-2-[2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]acetyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-[(6-nitro-2-oxochromene-3-carbonyl)amino]acetyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]acetyl]amino]propionic acid methyl ester Formula: C22H19N3O9 MolecularWeight: 469.40096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O9/c1-33-22(30)17(8-12-2-5-15(26)6-3-12)24-19(27)11-23-20(28)16-10-13-9-14(25(31)32)4-7-18(13)34-21(16)29/h2-7,9-10,17,26H,8,11H2,1H3,(H,23,28)(H,24,27)/t17-/m0/s1