methyl 4-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]butanoate CAS Name: 4-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]butanoate Traditional Name: 4-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]butyric acid methyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-23-14(19)3-2-8-16-15(20)10-4-7-12(17-11-5-6-11)13(9-10)18(21)22/h4,7,9,11,17H,2-3,5-6,8H2,1H3,(H,16,20)