2-azanyl-4-methyl-2-[3-[(5-methyl-2-nitro-phenyl)amino]propyl]-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-4-methyl-2-[3-[(5-methyl-2-nitro-phenyl)amino]propyl]-3-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4-methyl-2-[3-(5-methyl-2-nitro-anilino)propyl]-3-oxo-pentanoic acid CAS Name: 2-amino-4-methyl-2-[3-(5-methyl-2-nitroanilino)propyl]-3-oxopentanoic acid IUPAC Name: 2-amino-4-methyl-2-[3-(5-methyl-2-nitroanilino)propyl]-3-oxopentanoic acid Traditional Name: 2-amino-3-keto-4-methyl-2-[3-(5-methyl-2-nitro-anilino)propyl]valeric acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCC(C(=O)C(C)C)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCC(C(=O)C(C)C)(C(=O)O)N

InChI

InChI=1S/C16H23N3O5/c1-10(2)14(20)16(17,15(21)22)7-4-8-18-12-9-11(3)5-6-13(12)19(23)24/h5-6,9-10,18H,4,7-8,17H2,1-3H3,(H,21,22)