5-nitro-4-oxidanyl-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pentanoic acid

Systemtic Name: 5-nitro-4-oxidanyl-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pentanoic acid Openeye Name: 4-hydroxy-5-nitro-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid CAS Name: 4-hydroxy-5-nitro-3-[[1-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]amino]pentanoic acid IUPAC Name: 4-hydroxy-5-nitro-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid Traditional Name: 4-hydroxy-3-[[2-(1-keto-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-nitro-valeric acid Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC=CC=C21)CC(=O)NC(CC(=O)O)C(C[N+](=O)[O-])O

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)CC(=O)NC(CC(=O)O)C(C[N+](=O)[O-])O

InChI

InChI=1S/C16H19N3O7/c20-13(8-19(25)26)12(7-15(22)23)17-14(21)9-18-6-5-10-3-1-2-4-11(10)16(18)24/h1-4,12-13,20H,5-9H2,(H,17,21)(H,22,23)