(2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]propionic acid Formula: C21H15N3O7 MolecularWeight: 421.3597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H15N3O7/c25-19(15-8-11-7-13(24(29)30)5-6-18(11)31-21(15)28)23-17(20(26)27)9-12-10-22-16-4-2-1-3-14(12)16/h1-8,10,17,22H,9H2,(H,23,25)(H,26,27)/t17-/m0/s1