1-(3-azanyl-2-nitro-phenyl)butane-1,3-dione

Systemtic Name: 1-(3-azanyl-2-nitro-phenyl)butane-1,3-dione Openeye Name: 1-(3-amino-2-nitro-phenyl)butane-1,3-dione CAS Name: 1-(3-amino-2-nitrophenyl)butane-1,3-dione IUPAC Name: 1-(3-amino-2-nitrophenyl)butane-1,3-dione Traditional Name: 1-(3-amino-2-nitro-phenyl)butane-1,3-dione Formula: C10H10N2O4 MolecularWeight: 222.1974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O4/c1-6(13)5-9(14)7-3-2-4-8(11)10(7)12(15)16/h2-4H,5,11H2,1H3