3-(3,5-dinitro-4-oxidanyl-phenyl)-2-(naphthalen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 3-(3,5-dinitro-4-oxidanyl-phenyl)-2-(naphthalen-2-ylcarbonylamino)propanoic acid Openeye Name: 3-(4-hydroxy-3,5-dinitro-phenyl)-2-(naphthalene-2-carbonylamino)propanoic acid CAS Name: 3-(4-hydroxy-3,5-dinitrophenyl)-2-[[2-naphthalenyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxy-3,5-dinitrophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid Traditional Name: 3-(4-hydroxy-3,5-dinitro-phenyl)-2-(2-naphthoylamino)propionic acid Formula: C20H15N3O8 MolecularWeight: 425.3484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(CC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(CC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H15N3O8/c24-18-16(22(28)29)8-11(9-17(18)23(30)31)7-15(20(26)27)21-19(25)14-6-5-12-3-1-2-4-13(12)10-14/h1-6,8-10,15,24H,7H2,(H,21,25)(H,26,27)