methyl 2-[[(2S)-3-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]butanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[(2S)-3-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]butanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[(2S)-3-methyl-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]butanoyl]amino]propanoate CAS Name: 3-hydroxy-2-[[(2S)-3-methyl-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[(2S)-3-methyl-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]butanoyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[(2S)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-methyl-butanoyl]amino]propionic acid methyl ester Formula: C19H21N3O9 MolecularWeight: 435.38474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CO)C(=O)OC)NC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CO)C(=O)OC)NC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C19H21N3O9/c1-9(2)15(17(25)20-13(8-23)19(27)30-3)21-16(24)12-7-10-6-11(22(28)29)4-5-14(10)31-18(12)26/h4-7,9,13,15,23H,8H2,1-3H3,(H,20,25)(H,21,24)/t13?,15-/m0/s1