3-chloranyl-4-methoxy-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: 3-chloranyl-4-methoxy-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: 3-chloro-4-methoxy-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 3-chloro-4-methoxy-5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-chloro-4-methoxy-5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 3-chloro-4-methoxy-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoate Formula: C19H17ClN3O7- MolecularWeight: 434.80718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)[O-])NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)[O-])NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O7/c1-29-17-13(20)8-12(19(25)26)9-14(17)21-18(24)11-2-3-15(16(10-11)23(27)28)22-4-6-30-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,21,24)(H,25,26)/p-1