4-[4-[4-(dimethylamino)butylamino]-3-nitro-phenyl]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-(dimethylamino)butylamino]-3-nitro-phenyl]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(dimethylamino)butylamino]-3-nitro-phenyl]-3-methyl-4-oxo-butanoic acid CAS Name: 4-[4-[4-(dimethylamino)butylamino]-3-nitrophenyl]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(dimethylamino)butylamino]-3-nitrophenyl]-3-methyl-4-oxobutanoic acid Traditional Name: 4-[4-[4-(dimethylamino)butylamino]-3-nitro-phenyl]-4-keto-3-methyl-butyric acid Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)NCCCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)NCCCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5/c1-12(10-16(21)22)17(23)13-6-7-14(15(11-13)20(24)25)18-8-4-5-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3,(H,21,22)