methyl 4-[[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]amino]butanoate

Systemtic Name: methyl 4-[[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]amino]butanoate Openeye Name: methyl 4-[4-(isopropylcarbamoyl)-2-nitro-anilino]butanoate CAS Name: 4-[2-nitro-4-[oxo-(propan-2-ylamino)methyl]anilino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-nitro-4-(propan-2-ylcarbamoyl)anilino]butanoate Traditional Name: 4-[4-(isopropylcarbamoyl)-2-nitro-anilino]butyric acid methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)NCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)NCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-10(2)17-15(20)11-6-7-12(13(9-11)18(21)22)16-8-4-5-14(19)23-3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,20)