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

Systemtic Name: 3-(3,5-dinitro-4-oxidanyl-phenyl)-2-(2-naphthalen-2-ylethanoylamino)propanoic acid Openeye Name: 3-(4-hydroxy-3,5-dinitro-phenyl)-2-[[2-(2-naphthyl)acetyl]amino]propanoic acid CAS Name: 3-(4-hydroxy-3,5-dinitrophenyl)-2-[[2-(2-naphthalenyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxy-3,5-dinitrophenyl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoic acid Traditional Name: 3-(4-hydroxy-3,5-dinitro-phenyl)-2-[[2-(2-naphthyl)acetyl]amino]propionic acid Formula: C21H17N3O8 MolecularWeight: 439.37498

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17N3O8/c25-19(11-12-5-6-14-3-1-2-4-15(14)7-12)22-16(21(27)28)8-13-9-17(23(29)30)20(26)18(10-13)24(31)32/h1-7,9-10,16,26H,8,11H2,(H,22,25)(H,27,28)