2-methyl-3-[(4-nitrophenyl)methyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-[(4-nitrophenyl)methyl]naphthalene-1,4-dione Openeye Name: 2-methyl-3-[(4-nitrophenyl)methyl]naphthalene-1,4-dione CAS Name: 2-methyl-3-[(4-nitrophenyl)methyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-[(4-nitrophenyl)methyl]naphthalene-1,4-dione Traditional Name: 2-methyl-3-(4-nitrobenzyl)-1,4-naphthoquinone Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO4/c1-11-16(10-12-6-8-13(9-7-12)19(22)23)18(21)15-5-3-2-4-14(15)17(11)20/h2-9H,10H2,1H3