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

Systemtic Name: methyl (2S)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O7/c1-28-20(25)16(9-12-5-3-2-4-6-12)21-18(23)15-11-13-10-14(22(26)27)7-8-17(13)29-19(15)24/h2-8,10-11,16H,9H2,1H3,(H,21,23)/t16-/m0/s1