ethyl 2-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoate hydrate

Systemtic Name: ethyl 2-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoate hydrate Openeye Name: ethyl 2-[(4-methyl-3-nitro-benzoyl)amino]benzoate hydrate CAS Name: 2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester hydrate IUPAC Name: ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate hydrate Traditional Name: 2-[(4-methyl-3-nitro-benzoyl)amino]benzoic acid ethyl ester hydrate Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5.H2O/c1-3-24-17(21)13-6-4-5-7-14(13)18-16(20)12-9-8-11(2)15(10-12)19(22)23;/h4-10H,3H2,1-2H3,(H,18,20);1H2