2-methyl-3-(2-nitropropyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(2-nitropropyl)naphthalene-1,4-dione Openeye Name: 2-methyl-3-(2-nitropropyl)naphthalene-1,4-dione CAS Name: 2-methyl-3-(2-nitropropyl)naphthalene-1,4-dione IUPAC Name: 2-methyl-3-(2-nitropropyl)naphthalene-1,4-dione Traditional Name: 2-methyl-3-(2-nitropropyl)-1,4-naphthoquinone Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO4/c1-8(15(18)19)7-12-9(2)13(16)10-5-3-4-6-11(10)14(12)17/h3-6,8H,7H2,1-2H3