(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H13ClN4O8 MolecularWeight: 436.76012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O8/c18-12-4-3-10(6-14(12)22(28)29)17(25)20-7-15(23)30-8-11-2-1-9(16(19)24)5-13(11)21(26)27/h1-6H,7-8H2,(H2,19,24)(H,20,25)