2-azanyl-3-(1-nitro-4-oxidanyl-cyclohexa-2,4-dien-1-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(1-nitro-4-oxidanyl-cyclohexa-2,4-dien-1-yl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-1-nitro-cyclohexa-2,4-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(4-hydroxy-1-nitro-1-cyclohexa-2,4-dienyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-1-nitrocyclohexa-2,4-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-1-nitro-cyclohexa-2,4-dien-1-yl)propionic acid Formula: C9H12N2O5 MolecularWeight: 228.20198

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1(CC(C(=O)O)N)[N+](=O)[O-])O

Isomeric SMILES

C1C=C(C=CC1(CC(C(=O)O)N)[N+](=O)[O-])O

InChI

InChI=1S/C9H12N2O5/c10-7(8(13)14)5-9(11(15)16)3-1-6(12)2-4-9/h1-3,7,12H,4-5,10H2,(H,13,14)