2-azanyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid hydrate

Systemtic Name: 2-azanyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid hydrate Openeye Name: 2-amino-5-(4-nitroanilino)-5-oxo-pentanoic acid hydrate CAS Name: 2-amino-5-(4-nitroanilino)-5-oxopentanoic acid hydrate IUPAC Name: 2-amino-5-(4-nitroanilino)-5-oxopentanoic acid hydrate Traditional Name: 2-amino-5-keto-5-(4-nitroanilino)valeric acid hydrate Formula: C11H15N3O6 MolecularWeight: 285.2533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)[N+](=O)[O-].O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)[N+](=O)[O-].O

InChI

InChI=1S/C11H13N3O5.H2O/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H2