3-(6-azanyl-1-nitro-cyclohexa-2,4-dien-1-yl)propanoic acid

Systemtic Name: 3-(6-azanyl-1-nitro-cyclohexa-2,4-dien-1-yl)propanoic acid Openeye Name: 3-(6-amino-1-nitro-cyclohexa-2,4-dien-1-yl)propanoic acid CAS Name: 3-(6-amino-1-nitro-1-cyclohexa-2,4-dienyl)propanoic acid IUPAC Name: 3-(6-amino-1-nitrocyclohexa-2,4-dien-1-yl)propanoic acid Traditional Name: 3-(6-amino-1-nitro-cyclohexa-2,4-dien-1-yl)propionic acid Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4/c10-7-3-1-2-5-9(7,11(14)15)6-4-8(12)13/h1-3,5,7H,4,6,10H2,(H,12,13)