2-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-anilino-3,5-dinitro-benzoyl)amino]acetic acid CAS Name: 2-[[(4-anilino-3,5-dinitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-anilino-3,5-dinitrobenzoyl)amino]acetic acid Traditional Name: 2-[(4-anilino-3,5-dinitro-benzoyl)amino]acetic acid Formula: C15H12N4O7 MolecularWeight: 360.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O7/c20-13(21)8-16-15(22)9-6-11(18(23)24)14(12(7-9)19(25)26)17-10-4-2-1-3-5-10/h1-7,17H,8H2,(H,16,22)(H,20,21)