ethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate hydrate

Systemtic Name: ethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate hydrate Openeye Name: ethyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate hydrate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester hydrate IUPAC Name: ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate hydrate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid ethyl ester hydrate Formula: C16H15ClN2O6 MolecularWeight: 366.7531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.O

InChI

InChI=1S/C16H13ClN2O5.H2O/c1-2-24-16(21)12-5-3-4-6-14(12)18-15(20)11-8-7-10(19(22)23)9-13(11)17;/h3-9H,2H2,1H3,(H,18,20);1H2