5-[2-(3-methyl-4-nitro-phenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(3-methyl-4-nitro-phenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(3-methyl-4-nitro-benzoyl)hydrazino]-5-oxo-pentanoic acid CAS Name: 5-[[(3-methyl-4-nitrophenyl)-oxomethyl]hydrazo]-5-oxopentanoic acid IUPAC Name: 5-[2-(3-methyl-4-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[N'-(3-methyl-4-nitro-benzoyl)hydrazino]valeric acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-8-7-9(5-6-10(8)16(21)22)13(20)15-14-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,14,17)(H,15,20)(H,18,19)