2-benzamido-3-(3,5-dinitrophenyl)propanoic acid

Systemtic Name: 2-benzamido-3-(3,5-dinitrophenyl)propanoic acid Openeye Name: 2-benzamido-3-(3,5-dinitrophenyl)propanoic acid CAS Name: 2-benzamido-3-(3,5-dinitrophenyl)propanoic acid IUPAC Name: 2-benzamido-3-(3,5-dinitrophenyl)propanoic acid Traditional Name: 2-benzamido-3-(3,5-dinitrophenyl)propionic acid Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O7/c20-15(11-4-2-1-3-5-11)17-14(16(21)22)8-10-6-12(18(23)24)9-13(7-10)19(25)26/h1-7,9,14H,8H2,(H,17,20)(H,21,22)